5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one

C126H180Cl2N12O11 — CID 158073294

IUPAC5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(C)CC(=O)NC(C)C.CC(C)N1Cc2c(Cl)cccc2C1=O.CC(C)N1Cc2ccc(Cl)cc2C1=O.CC(C)N1Cc2ncccc2C1=O.CC(C)NC(=O)CC1CCCCC1.CC(C)NC(=O)CCC1CCCCC1.CC(C)NC(=O)CCc1ccccc1.CC(C)NC(=O)c1ccccc1.CCC#Cc1ccc2c(c1)CN(C(C)C)C2=O.CCCCc1ccc2c(c1)CN(C(C)C)C2=O.Cc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C15H21NO.C15H17NO.C12H23NO.C12H17NO.2C11H12ClNO.C11H15NO.C11H21NO.C10H12N2O.C10H13NO.C8H17NO/c2*1-4-5-6-12-7-8-14-13(9-12)10-16(11(2)3)15(14)17;2*1-10(2)13-12(14)9-8-11-6-4-3-5-7-11;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-8(2)12-11(13)10-6-4-9(3)5-7-10;1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-7(2)12-6-9-8(10(12)13)4-3-5-11-9;1-8(2)11-10(12)9-6-4-3-5-7-9;1-6(2)5-8(10)9-7(3)4/h7-9,11H,4-6,10H2,1-3H3;7-9,11H,4,10H2,1-3H3;10-11H,3-9H2,1-2H3,(H,13,14);3-7,10H,8-9H2,1-2H3,(H,13,14);2*3-5,7H,6H2,1-2H3;4-8H,1-3H3,(H,12,13);9-10H,3-8H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3;3-8H,1-2H3,(H,11,12);6-7H,5H2,1-4H3,(H,9,10)
InChIKeyFMBLYJWOGFTIML-UHFFFAOYSA-N
MW2109.80 g/mol
LogP26.07
Rot. Bonds26

About 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one

5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 158073294) has the molecular formula C126H180Cl2N12O11 and a molecular weight of 2109.80 g/mol. Its IUPAC name is 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID158073294
Molecular FormulaC126H180Cl2N12O11
Molecular Weight2109.80 g/mol
Exact Mass2107.33
IUPAC Name5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(C)CC(=O)NC(C)C.CC(C)N1Cc2c(Cl)cccc2C1=O.CC(C)N1Cc2ccc(Cl)cc2C1=O.CC(C)N1Cc2ncccc2C1=O.CC(C)NC(=O)CC1CCCCC1.CC(C)NC(=O)CCC1CCCCC1.CC(C)NC(=O)CCc1ccccc1.CC(C)NC(=O)c1ccccc1.CCC#Cc1ccc2c(c1)CN(C(C)C)C2=O.CCCCc1ccc2c(c1)CN(C(C)C)C2=O.Cc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C15H21NO.C15H17NO.C12H23NO.C12H17NO.2C11H12ClNO.C11H15NO.C11H21NO.C10H12N2O.C10H13NO.C8H17NO/c2*1-4-5-6-12-7-8-14-13(9-12)10-16(11(2)3)15(14)17;2*1-10(2)13-12(14)9-8-11-6-4-3-5-7-11;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-8(2)12-11(13)10-6-4-9(3)5-7-10;1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-7(2)12-6-9-8(10(12)13)4-3-5-11-9;1-8(2)11-10(12)9-6-4-3-5-7-9;1-6(2)5-8(10)9-7(3)4/h7-9,11H,4-6,10H2,1-3H3;7-9,11H,4,10H2,1-3H3;10-11H,3-9H2,1-2H3,(H,13,14);3-7,10H,8-9H2,1-2H3,(H,13,14);2*3-5,7H,6H2,1-2H3;4-8H,1-3H3,(H,12,13);9-10H,3-8H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3;3-8H,1-2H3,(H,11,12);6-7H,5H2,1-4H3,(H,9,10)
InChIKeyFMBLYJWOGFTIML-UHFFFAOYSA-N
XLogP26.07
TPSA289.04 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002109.80
LogP ≤ 526.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 158073294) is 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one is CC(C)CC(=O)NC(C)C.CC(C)N1Cc2c(Cl)cccc2C1=O.CC(C)N1Cc2ccc(Cl)cc2C1=O.CC(C)N1Cc2ncccc2C1=O.CC(C)NC(=O)CC1CCCCC1.CC(C)NC(=O)CCC1CCCCC1.CC(C)NC(=O)CCc1ccccc1.CC(C)NC(=O)c1ccccc1.CCC#Cc1ccc2c(c1)CN(C(C)C)C2=O.CCCCc1ccc2c(c1)CN(C(C)C)C2=O.Cc1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is FMBLYJWOGFTIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.C15H17NO.C12H23NO.C12H17NO.2C11H12ClNO.C11H15NO.C11H21NO.C10H12N2O.C10H13NO.C8H17NO/c2*1-4-5-6-12-7-8-14-13(9-12)10-16(11(2)3)15(14)17;2*1-10(2)13-12(14)9-8-11-6-4-3-5-7-11;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-8(2)12-11(13)10-6-4-9(3)5-7-10;1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-7(2)12-6-9-8(10(12)13)4-3-5-11-9;1-8(2)11-10(12)9-6-4-3-5-7-9;1-6(2)5-8(10)9-7(3)4/h7-9,11H,4-6,10H2,1-3H3;7-9,11H,4,10H2,1-3H3;10-11H,3-9H2,1-2H3,(H,13,14);3-7,10H,8-9H2,1-2H3,(H,13,14);2*3-5,7H,6H2,1-2H3;4-8H,1-3H3,(H,12,13);9-10H,3-8H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3;3-8H,1-2H3,(H,11,12);6-7H,5H2,1-4H3,(H,9,10).
What are the key properties of 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 2109.80 g/mol, XLogP of 26.07, 26 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 158073294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).