(6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone

C17H20ClNO — CID 107176419

IUPAC(6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
SMILESCC1(C)CCCCC1C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H20ClNO/c1-17(2)8-4-3-5-14(17)16(20)13-10-19-15-9-11(18)6-7-12(13)15/h6-7,9-10,14,19H,3-5,8H2,1-2H3
InChIKeyHWNUPMAPKUKBNA-UHFFFAOYSA-N
MW289.81 g/mol
LogP5.22
Rot. Bonds2

About (6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone

(6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone (PubChem CID 107176419) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name(6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
PubChem CID107176419
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
SMILESCC1(C)CCCCC1C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H20ClNO/c1-17(2)8-4-3-5-14(17)16(20)13-10-19-15-9-11(18)6-7-12(13)15/h6-7,9-10,14,19H,3-5,8H2,1-2H3
InChIKeyHWNUPMAPKUKBNA-UHFFFAOYSA-N
XLogP5.22
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.81
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-bromo-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176496
(2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107176420
(5-bromo-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176382
(6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone
CID 64867873
(2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107176683
(4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176610
(6-chloro-1-methylindol-3-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176724
(2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone
CID 107186732
6-chloro-1H-indole-3-carboxamide
CID 130666489
CID 170645729
CID 170645729
(2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone
CID 107186637
2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid
CID 22556709

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone?
The IUPAC name of (6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone (CID 107176419) is (6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone.
What is the SMILES notation for (6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone?
The canonical SMILES for (6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone is CC1(C)CCCCC1C(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of (6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone?
The InChIKey is HWNUPMAPKUKBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-17(2)8-4-3-5-14(17)16(20)13-10-19-15-9-11(18)6-7-12(13)15/h6-7,9-10,14,19H,3-5,8H2,1-2H3.
What are the key properties of (6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone?
(6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone has a molecular weight of 289.81 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone is sourced from PubChem (CID 107176419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).