7-chloro-3-(1-methylcyclohexyl)-2,3-dihydro-1H-indole

C15H20ClN — CID 106985936

IUPAC7-chloro-3-(1-methylcyclohexyl)-2,3-dihydro-1H-indole
SMILESCC1(C2CNc3c(Cl)cccc32)CCCCC1
InChIInChI=1S/C15H20ClN/c1-15(8-3-2-4-9-15)12-10-17-14-11(12)6-5-7-13(14)16/h5-7,12,17H,2-4,8-10H2,1H3
InChIKeyJWSZIBUBAVWWTQ-UHFFFAOYSA-N
MW249.78 g/mol
LogP4.82
Rot. Bonds1

About 7-chloro-3-(1-methylcyclohexyl)-2,3-dihydro-1H-indole

7-chloro-3-(1-methylcyclohexyl)-2,3-dihydro-1H-indole (PubChem CID 106985936) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is 7-chloro-3-(1-methylcyclohexyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-chloro-3-(1-methylcyclohexyl)-2,3-dihydro-1H-indole
PubChem CID106985936
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name7-chloro-3-(1-methylcyclohexyl)-2,3-dihydro-1H-indole
SMILESCC1(C2CNc3c(Cl)cccc32)CCCCC1
InChIInChI=1S/C15H20ClN/c1-15(8-3-2-4-9-15)12-10-17-14-11(12)6-5-7-13(14)16/h5-7,12,17H,2-4,8-10H2,1H3
InChIKeyJWSZIBUBAVWWTQ-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-3-(1-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986742
7-chloro-3-propyl-2,3-dihydro-1H-indole
CID 106985714
7-chloro-3-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84671899
7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole
CID 106985918
7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986432
(3aR,9bS)-6-cyclopropyl-3a-methyl-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalene
CID 160711596
7-chloro-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 82624967
6-chloro-3a-methyl-2,3,4,9b-tetrahydro-1H-benzo[e]isoindol-5-one
CID 70664482
5-(2-chlorophenyl)-3-azaspiro[5.5]undecane
CID 79454124
4-(azetidin-1-ylmethyl)-8-chloro-1,2,3,4-tetrahydroquinoline
CID 105498664
3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole
CID 84664963
6-chloro-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
CID 105356321

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(1-methylcyclohexyl)-2,3-dihydro-1H-indole?
The IUPAC name of 7-chloro-3-(1-methylcyclohexyl)-2,3-dihydro-1H-indole (CID 106985936) is 7-chloro-3-(1-methylcyclohexyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-chloro-3-(1-methylcyclohexyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 7-chloro-3-(1-methylcyclohexyl)-2,3-dihydro-1H-indole is CC1(C2CNc3c(Cl)cccc32)CCCCC1.
What is the InChIKey of 7-chloro-3-(1-methylcyclohexyl)-2,3-dihydro-1H-indole?
The InChIKey is JWSZIBUBAVWWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c1-15(8-3-2-4-9-15)12-10-17-14-11(12)6-5-7-13(14)16/h5-7,12,17H,2-4,8-10H2,1H3.
What are the key properties of 7-chloro-3-(1-methylcyclohexyl)-2,3-dihydro-1H-indole?
7-chloro-3-(1-methylcyclohexyl)-2,3-dihydro-1H-indole has a molecular weight of 249.78 g/mol, XLogP of 4.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(1-methylcyclohexyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 106985936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).