1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one

C50H58N4O4 — CID 161024534

IUPAC1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one
SMILESCc1ccc2c(c1)C(C)(C)C(=O)N2C.Cc1ccc2c(c1)C1(CC1)C(=O)N2C.Cc1ccc2c(c1)C1(CCCC1)C(=O)N2C.Cc1ccc2c(c1)N(C)C(=O)C21CC1
InChIInChI=1S/C14H17NO.2C12H13NO.C12H15NO/c1-10-5-6-12-11(9-10)14(7-3-4-8-14)13(16)15(12)2;1-8-3-4-10-9(7-8)12(5-6-12)11(14)13(10)2;1-8-3-4-9-10(7-8)13(2)11(14)12(9)5-6-12;1-8-5-6-10-9(7-8)12(2,3)11(14)13(10)4/h5-6,9H,3-4,7-8H2,1-2H3;2*3-4,7H,5-6H2,1-2H3;5-7H,1-4H3
InChIKeyTYUQXCOTSBQGRJ-UHFFFAOYSA-N
MW779.04 g/mol
LogP9.04
Rot. Bonds

About 1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one

1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one (PubChem CID 161024534) has the molecular formula C50H58N4O4 and a molecular weight of 779.04 g/mol. Its IUPAC name is 1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one.

Molecular Properties

Compound Name1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one
PubChem CID161024534
Molecular FormulaC50H58N4O4
Molecular Weight779.04 g/mol
Exact Mass778.45
IUPAC Name1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one
SMILESCc1ccc2c(c1)C(C)(C)C(=O)N2C.Cc1ccc2c(c1)C1(CC1)C(=O)N2C.Cc1ccc2c(c1)C1(CCCC1)C(=O)N2C.Cc1ccc2c(c1)N(C)C(=O)C21CC1
InChIInChI=1S/C14H17NO.2C12H13NO.C12H15NO/c1-10-5-6-12-11(9-10)14(7-3-4-8-14)13(16)15(12)2;1-8-3-4-10-9(7-8)12(5-6-12)11(14)13(10)2;1-8-3-4-9-10(7-8)13(2)11(14)12(9)5-6-12;1-8-5-6-10-9(7-8)12(2,3)11(14)13(10)4/h5-6,9H,3-4,7-8H2,1-2H3;2*3-4,7H,5-6H2,1-2H3;5-7H,1-4H3
InChIKeyTYUQXCOTSBQGRJ-UHFFFAOYSA-N
XLogP9.04
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.04
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one with MolForge

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Related Compounds

1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;ethane
CID 176997372
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1'-methyl-5'-(methylamino)spiro[cyclobutane-1,3'-indole]-2'-one
CID 83853133
(3R)-6-methyl-1-propan-2-ylspiro[indole-3,3'-piperidine]-2-one
CID 70113018
3,3-dimethoxy-1,6-dimethylindol-2-one
CID 54543930
3,3,5-trimethyl-1-propylindol-2-one
CID 69481776
1,3,3-trimethyl-5-(2-methyloxiran-2-yl)indol-2-one
CID 82474830
1-methyl-5-nitrospiro[indole-3,4'-oxane]-2-one
CID 122459681
8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one
CID 169194663
1,5-dimethylspiro[7H-pyrrolo[3,2-g]phthalazine-3,1'-cyclopropane]-2,8-dione
CID 167310769
5-fluoro-1'-hydroxy-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 70345928
CID 134957235
CID 134957235

Frequently Asked Questions

What is the IUPAC name of 1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one?
The IUPAC name of 1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one (CID 161024534) is 1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one.
What is the SMILES notation for 1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one?
The canonical SMILES for 1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one is Cc1ccc2c(c1)C(C)(C)C(=O)N2C.Cc1ccc2c(c1)C1(CC1)C(=O)N2C.Cc1ccc2c(c1)C1(CCCC1)C(=O)N2C.Cc1ccc2c(c1)N(C)C(=O)C21CC1.
What is the InChIKey of 1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one?
The InChIKey is TYUQXCOTSBQGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.2C12H13NO.C12H15NO/c1-10-5-6-12-11(9-10)14(7-3-4-8-14)13(16)15(12)2;1-8-3-4-10-9(7-8)12(5-6-12)11(14)13(10)2;1-8-3-4-9-10(7-8)13(2)11(14)12(9)5-6-12;1-8-5-6-10-9(7-8)12(2,3)11(14)13(10)4/h5-6,9H,3-4,7-8H2,1-2H3;2*3-4,7H,5-6H2,1-2H3;5-7H,1-4H3.
What are the key properties of 1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one?
1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one has a molecular weight of 779.04 g/mol, XLogP of 9.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one is sourced from PubChem (CID 161024534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).