4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine

C86H116N14O3 — CID 158164706

IUPAC4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
SMILESCC(C)(C)c1ccnc2c1CC(=O)C2.CC(C)(C)c1ccnc2c1CCC(=O)C2.CC(C)c1cccnc1.CC(C)c1ccnc2c1C=CC2.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnoc1
InChIInChI=1S/C13H17NO.C12H15NO.C11H13N.2C8H11N.4C7H10N2.C6H9NO/c1-13(2,3)11-6-7-14-12-8-9(15)4-5-10(11)12;1-12(2,3)10-4-5-13-11-7-8(14)6-9(10)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)6-3-7-8-4-6/h6-7H,4-5,8H2,1-3H3;4-5H,6-7H2,1-3H3;3-4,6-8H,5H2,1-2H3;2*3-7H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3
InChIKeyFWRVLRVSICIDNH-UHFFFAOYSA-N
MW1393.97 g/mol
LogP19.87
Rot. Bonds8

About 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine

4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine (PubChem CID 158164706) has the molecular formula C86H116N14O3 and a molecular weight of 1393.97 g/mol. Its IUPAC name is 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
PubChem CID158164706
Molecular FormulaC86H116N14O3
Molecular Weight1393.97 g/mol
Exact Mass1392.94
IUPAC Name4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
SMILESCC(C)(C)c1ccnc2c1CC(=O)C2.CC(C)(C)c1ccnc2c1CCC(=O)C2.CC(C)c1cccnc1.CC(C)c1ccnc2c1C=CC2.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnoc1
InChIInChI=1S/C13H17NO.C12H15NO.C11H13N.2C8H11N.4C7H10N2.C6H9NO/c1-13(2,3)11-6-7-14-12-8-9(15)4-5-10(11)12;1-12(2,3)10-4-5-13-11-7-8(14)6-9(10)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)6-3-7-8-4-6/h6-7H,4-5,8H2,1-3H3;4-5H,6-7H2,1-3H3;3-4,6-8H,5H2,1-2H3;2*3-7H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3
InChIKeyFWRVLRVSICIDNH-UHFFFAOYSA-N
XLogP19.87
TPSA227.74 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001393.97
LogP ≤ 519.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The IUPAC name of 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine (CID 158164706) is 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The canonical SMILES for 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine is CC(C)(C)c1ccnc2c1CC(=O)C2.CC(C)(C)c1ccnc2c1CCC(=O)C2.CC(C)c1cccnc1.CC(C)c1ccnc2c1C=CC2.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnoc1.
What is the InChIKey of 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The InChIKey is FWRVLRVSICIDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C12H15NO.C11H13N.2C8H11N.4C7H10N2.C6H9NO/c1-13(2,3)11-6-7-14-12-8-9(15)4-5-10(11)12;1-12(2,3)10-4-5-13-11-7-8(14)6-9(10)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)6-3-7-8-4-6/h6-7H,4-5,8H2,1-3H3;4-5H,6-7H2,1-3H3;3-4,6-8H,5H2,1-2H3;2*3-7H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine has a molecular weight of 1393.97 g/mol, XLogP of 19.87, 8 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine is sourced from PubChem (CID 158164706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).