(6-chloro-1-methylindol-3-yl)-cycloheptylmethanone

C17H20ClNO — CID 116651040

IUPAC(6-chloro-1-methylindol-3-yl)-cycloheptylmethanone
SMILESCn1cc(C(=O)C2CCCCCC2)c2ccc(Cl)cc21
InChIInChI=1S/C17H20ClNO/c1-19-11-15(14-9-8-13(18)10-16(14)19)17(20)12-6-4-2-3-5-7-12/h8-12H,2-7H2,1H3
InChIKeyACTPUSJWADEXDE-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.98
Rot. Bonds2

About (6-chloro-1-methylindol-3-yl)-cycloheptylmethanone

(6-chloro-1-methylindol-3-yl)-cycloheptylmethanone (PubChem CID 116651040) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (6-chloro-1-methylindol-3-yl)-cycloheptylmethanone.

Molecular Properties

Compound Name(6-chloro-1-methylindol-3-yl)-cycloheptylmethanone
PubChem CID116651040
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(6-chloro-1-methylindol-3-yl)-cycloheptylmethanone
SMILESCn1cc(C(=O)C2CCCCCC2)c2ccc(Cl)cc21
InChIInChI=1S/C17H20ClNO/c1-19-11-15(14-9-8-13(18)10-16(14)19)17(20)12-6-4-2-3-5-7-12/h8-12H,2-7H2,1H3
InChIKeyACTPUSJWADEXDE-UHFFFAOYSA-N
XLogP4.98
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-chloro-1-methylindol-3-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176724
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
(6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone
CID 116651038
(5-bromo-1-methylindol-3-yl)-cyclobutylmethanone
CID 82278845
cyclopropyl-(1,5-dimethylindol-3-yl)methanone
CID 82278819
(6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone
CID 116650948
(4-chloro-2-fluorophenyl)-cyclopentylmethanone
CID 24724178
2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one
CID 162765497
(2-amino-5-chlorophenyl)-cyclopentylmethanone
CID 57148453
(1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone
CID 82499713
(6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone
CID 116651047
cyclobutyl-(2,4-dichlorophenyl)methanone
CID 24724148

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1-methylindol-3-yl)-cycloheptylmethanone?
The IUPAC name of (6-chloro-1-methylindol-3-yl)-cycloheptylmethanone (CID 116651040) is (6-chloro-1-methylindol-3-yl)-cycloheptylmethanone.
What is the SMILES notation for (6-chloro-1-methylindol-3-yl)-cycloheptylmethanone?
The canonical SMILES for (6-chloro-1-methylindol-3-yl)-cycloheptylmethanone is Cn1cc(C(=O)C2CCCCCC2)c2ccc(Cl)cc21.
What is the InChIKey of (6-chloro-1-methylindol-3-yl)-cycloheptylmethanone?
The InChIKey is ACTPUSJWADEXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-19-11-15(14-9-8-13(18)10-16(14)19)17(20)12-6-4-2-3-5-7-12/h8-12H,2-7H2,1H3.
What are the key properties of (6-chloro-1-methylindol-3-yl)-cycloheptylmethanone?
(6-chloro-1-methylindol-3-yl)-cycloheptylmethanone has a molecular weight of 289.81 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1-methylindol-3-yl)-cycloheptylmethanone is sourced from PubChem (CID 116651040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).