2-(6-chloro-2-methylindol-1-yl)cyclohexan-1-one

C15H16ClNO — CID 170555001

IUPAC2-(6-chloro-2-methylindol-1-yl)cyclohexan-1-one
SMILESCc1cc2ccc(Cl)cc2n1C1CCCCC1=O
InChIInChI=1S/C15H16ClNO/c1-10-8-11-6-7-12(16)9-14(11)17(10)13-4-2-3-5-15(13)18/h6-9,13H,2-5H2,1H3
InChIKeyHJVYVPIAEFOXFU-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.29
Rot. Bonds1

About 2-(6-chloro-2-methylindol-1-yl)cyclohexan-1-one

2-(6-chloro-2-methylindol-1-yl)cyclohexan-1-one (PubChem CID 170555001) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-(6-chloro-2-methylindol-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(6-chloro-2-methylindol-1-yl)cyclohexan-1-one
PubChem CID170555001
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-(6-chloro-2-methylindol-1-yl)cyclohexan-1-one
SMILESCc1cc2ccc(Cl)cc2n1C1CCCCC1=O
InChIInChI=1S/C15H16ClNO/c1-10-8-11-6-7-12(16)9-14(11)17(10)13-4-2-3-5-15(13)18/h6-9,13H,2-5H2,1H3
InChIKeyHJVYVPIAEFOXFU-UHFFFAOYSA-N
XLogP4.29
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methylindol-1-yl)cyclohexan-1-one?
The IUPAC name of 2-(6-chloro-2-methylindol-1-yl)cyclohexan-1-one (CID 170555001) is 2-(6-chloro-2-methylindol-1-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(6-chloro-2-methylindol-1-yl)cyclohexan-1-one?
The canonical SMILES for 2-(6-chloro-2-methylindol-1-yl)cyclohexan-1-one is Cc1cc2ccc(Cl)cc2n1C1CCCCC1=O.
What is the InChIKey of 2-(6-chloro-2-methylindol-1-yl)cyclohexan-1-one?
The InChIKey is HJVYVPIAEFOXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-8-11-6-7-12(16)9-14(11)17(10)13-4-2-3-5-15(13)18/h6-9,13H,2-5H2,1H3.
What are the key properties of 2-(6-chloro-2-methylindol-1-yl)cyclohexan-1-one?
2-(6-chloro-2-methylindol-1-yl)cyclohexan-1-one has a molecular weight of 261.75 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methylindol-1-yl)cyclohexan-1-one is sourced from PubChem (CID 170555001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).