1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one

C17H22ClNO — CID 116650978

IUPAC1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one
SMILESCC(CC(=O)c1cn(C)c2cc(Cl)ccc12)C(C)(C)C
InChIInChI=1S/C17H22ClNO/c1-11(17(2,3)4)8-16(20)14-10-19(5)15-9-12(18)6-7-13(14)15/h6-7,9-11H,8H2,1-5H3
InChIKeyIEQBHOMTTAHPSH-UHFFFAOYSA-N
MW291.82 g/mol
LogP5.09
Rot. Bonds3

About 1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one

1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one (PubChem CID 116650978) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one.

Molecular Properties

Compound Name1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one
PubChem CID116650978
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one
SMILESCC(CC(=O)c1cn(C)c2cc(Cl)ccc12)C(C)(C)C
InChIInChI=1S/C17H22ClNO/c1-11(17(2,3)4)8-16(20)14-10-19(5)15-9-12(18)6-7-13(14)15/h6-7,9-11H,8H2,1-5H3
InChIKeyIEQBHOMTTAHPSH-UHFFFAOYSA-N
XLogP5.09
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.82
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one
CID 162765497
1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone
CID 116651006
2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone
CID 116651087
(6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone
CID 116651038
(6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone
CID 116650948
(6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone
CID 116651047
(6-chloro-1-methylindol-3-yl)-cycloheptylmethanone
CID 116651040
(6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 116651068
7-chloro-3-ethylsulfanyl-1-methylquinolin-4-one
CID 13188128
1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one
CID 55262245
(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine
CID 95433151
2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone
CID 110655455

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one?
The IUPAC name of 1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one (CID 116650978) is 1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one.
What is the SMILES notation for 1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one?
The canonical SMILES for 1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one is CC(CC(=O)c1cn(C)c2cc(Cl)ccc12)C(C)(C)C.
What is the InChIKey of 1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one?
The InChIKey is IEQBHOMTTAHPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-11(17(2,3)4)8-16(20)14-10-19(5)15-9-12(18)6-7-13(14)15/h6-7,9-11H,8H2,1-5H3.
What are the key properties of 1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one?
1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one has a molecular weight of 291.82 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one is sourced from PubChem (CID 116650978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).