5-(3-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one

C19H18ClNO — CID 12042978

IUPAC5-(3-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESO=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12CCCCC2
InChIInChI=1S/C19H18ClNO/c20-15-6-4-5-13(11-15)14-7-8-17-16(12-14)19(18(22)21-17)9-2-1-3-10-19/h4-8,11-12H,1-3,9-10H2,(H,21,22)
InChIKeyXVGXCHRWZFIARX-UHFFFAOYSA-N
MW311.81 g/mol
LogP5.16
Rot. Bonds1

About 5-(3-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one

5-(3-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one (PubChem CID 12042978) has the molecular formula C19H18ClNO and a molecular weight of 311.81 g/mol. Its IUPAC name is 5-(3-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one
PubChem CID12042978
Molecular FormulaC19H18ClNO
Molecular Weight311.81 g/mol
Exact Mass311.11
IUPAC Name5-(3-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESO=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12CCCCC2
InChIInChI=1S/C19H18ClNO/c20-15-6-4-5-13(11-15)14-7-8-17-16(12-14)19(18(22)21-17)9-2-1-3-10-19/h4-8,11-12H,1-3,9-10H2,(H,21,22)
InChIKeyXVGXCHRWZFIARX-UHFFFAOYSA-N
XLogP5.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.81
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one?
The IUPAC name of 5-(3-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one (CID 12042978) is 5-(3-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 5-(3-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one?
The canonical SMILES for 5-(3-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one is O=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12CCCCC2.
What is the InChIKey of 5-(3-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one?
The InChIKey is XVGXCHRWZFIARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO/c20-15-6-4-5-13(11-15)14-7-8-17-16(12-14)19(18(22)21-17)9-2-1-3-10-19/h4-8,11-12H,1-3,9-10H2,(H,21,22).
What are the key properties of 5-(3-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one?
5-(3-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one has a molecular weight of 311.81 g/mol, XLogP of 5.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 12042978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).