5-(6-methyl-3-pyridinyl)spiro[1H-indole-3,1'-cyclohexane]-2-one

C19H20N2O — CID 138045616

IUPAC5-(6-methyl-3-pyridinyl)spiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCc1ccc(-c2ccc3c(c2)C2(CCCCC2)C(=O)N3)cn1
InChIInChI=1S/C19H20N2O/c1-13-5-6-15(12-20-13)14-7-8-17-16(11-14)19(18(22)21-17)9-3-2-4-10-19/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,22)
InChIKeyVIABYQJRWUSXSP-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.21
Rot. Bonds1

About 5-(6-methyl-3-pyridinyl)spiro[1H-indole-3,1'-cyclohexane]-2-one

5-(6-methyl-3-pyridinyl)spiro[1H-indole-3,1'-cyclohexane]-2-one (PubChem CID 138045616) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(6-methyl-3-pyridinyl)spiro[1H-indole-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name5-(6-methyl-3-pyridinyl)spiro[1H-indole-3,1'-cyclohexane]-2-one
PubChem CID138045616
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name5-(6-methyl-3-pyridinyl)spiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCc1ccc(-c2ccc3c(c2)C2(CCCCC2)C(=O)N3)cn1
InChIInChI=1S/C19H20N2O/c1-13-5-6-15(12-20-13)14-7-8-17-16(11-14)19(18(22)21-17)9-3-2-4-10-19/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,22)
InChIKeyVIABYQJRWUSXSP-UHFFFAOYSA-N
XLogP4.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-fluoro-2-methylphenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one
CID 70000021
2-fluoro-4-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzaldehyde
CID 91012658
5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 82085220
5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane
CID 145209276
3,5-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-1H-pyrazole-4-sulfonamide
CID 110405556
5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one
CID 84619753
1',1'-dimethyl-5-(3-nitrophenyl)spiro[1H-indole-3,4'-cyclohexane]-2-one
CID 22019375
6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
CID 69159711
9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948843
2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide
CID 110405476
5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 156760180
6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one
CID 67232508

Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-3-pyridinyl)spiro[1H-indole-3,1'-cyclohexane]-2-one?
The IUPAC name of 5-(6-methyl-3-pyridinyl)spiro[1H-indole-3,1'-cyclohexane]-2-one (CID 138045616) is 5-(6-methyl-3-pyridinyl)spiro[1H-indole-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 5-(6-methyl-3-pyridinyl)spiro[1H-indole-3,1'-cyclohexane]-2-one?
The canonical SMILES for 5-(6-methyl-3-pyridinyl)spiro[1H-indole-3,1'-cyclohexane]-2-one is Cc1ccc(-c2ccc3c(c2)C2(CCCCC2)C(=O)N3)cn1.
What is the InChIKey of 5-(6-methyl-3-pyridinyl)spiro[1H-indole-3,1'-cyclohexane]-2-one?
The InChIKey is VIABYQJRWUSXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13-5-6-15(12-20-13)14-7-8-17-16(11-14)19(18(22)21-17)9-3-2-4-10-19/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,22).
What are the key properties of 5-(6-methyl-3-pyridinyl)spiro[1H-indole-3,1'-cyclohexane]-2-one?
5-(6-methyl-3-pyridinyl)spiro[1H-indole-3,1'-cyclohexane]-2-one has a molecular weight of 292.38 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-3-pyridinyl)spiro[1H-indole-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 138045616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).