2-(4-chloro-1H-indol-3-yl)cyclohexan-1-one

C14H14ClNO — CID 172762158

IUPAC2-(4-chloro-1H-indol-3-yl)cyclohexan-1-one
SMILESO=C1CCCCC1c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C14H14ClNO/c15-11-5-3-6-12-14(11)10(8-16-12)9-4-1-2-7-13(9)17/h3,5-6,8-9,16H,1-2,4,7H2
InChIKeyLVGYRYUSSBRAJH-UHFFFAOYSA-N
MW247.72 g/mol
LogP4.05
Rot. Bonds1

About 2-(4-chloro-1H-indol-3-yl)cyclohexan-1-one

2-(4-chloro-1H-indol-3-yl)cyclohexan-1-one (PubChem CID 172762158) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-(4-chloro-1H-indol-3-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(4-chloro-1H-indol-3-yl)cyclohexan-1-one
PubChem CID172762158
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name2-(4-chloro-1H-indol-3-yl)cyclohexan-1-one
SMILESO=C1CCCCC1c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C14H14ClNO/c15-11-5-3-6-12-14(11)10(8-16-12)9-4-1-2-7-13(9)17/h3,5-6,8-9,16H,1-2,4,7H2
InChIKeyLVGYRYUSSBRAJH-UHFFFAOYSA-N
XLogP4.05
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1H-indol-3-yl)cyclohexan-1-one?
The IUPAC name of 2-(4-chloro-1H-indol-3-yl)cyclohexan-1-one (CID 172762158) is 2-(4-chloro-1H-indol-3-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(4-chloro-1H-indol-3-yl)cyclohexan-1-one?
The canonical SMILES for 2-(4-chloro-1H-indol-3-yl)cyclohexan-1-one is O=C1CCCCC1c1c[nH]c2cccc(Cl)c12.
What is the InChIKey of 2-(4-chloro-1H-indol-3-yl)cyclohexan-1-one?
The InChIKey is LVGYRYUSSBRAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-11-5-3-6-12-14(11)10(8-16-12)9-4-1-2-7-13(9)17/h3,5-6,8-9,16H,1-2,4,7H2.
What are the key properties of 2-(4-chloro-1H-indol-3-yl)cyclohexan-1-one?
2-(4-chloro-1H-indol-3-yl)cyclohexan-1-one has a molecular weight of 247.72 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1H-indol-3-yl)cyclohexan-1-one is sourced from PubChem (CID 172762158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).