8-(4-chlorophenyl)azocan-2-one

C13H16ClNO — CID 165492296

IUPAC8-(4-chlorophenyl)azocan-2-one
SMILESO=C1CCCCCC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C13H16ClNO/c14-11-8-6-10(7-9-11)12-4-2-1-3-5-13(16)15-12/h6-9,12H,1-5H2,(H,15,16)
InChIKeyUEUDYJPJFKMDJR-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.46
Rot. Bonds1

About 8-(4-chlorophenyl)azocan-2-one

8-(4-chlorophenyl)azocan-2-one (PubChem CID 165492296) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 8-(4-chlorophenyl)azocan-2-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)azocan-2-one
PubChem CID165492296
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name8-(4-chlorophenyl)azocan-2-one
SMILESO=C1CCCCCC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C13H16ClNO/c14-11-8-6-10(7-9-11)12-4-2-1-3-5-13(16)15-12/h6-9,12H,1-5H2,(H,15,16)
InChIKeyUEUDYJPJFKMDJR-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)azocan-2-one?
The IUPAC name of 8-(4-chlorophenyl)azocan-2-one (CID 165492296) is 8-(4-chlorophenyl)azocan-2-one.
What is the SMILES notation for 8-(4-chlorophenyl)azocan-2-one?
The canonical SMILES for 8-(4-chlorophenyl)azocan-2-one is O=C1CCCCCC(c2ccc(Cl)cc2)N1.
What is the InChIKey of 8-(4-chlorophenyl)azocan-2-one?
The InChIKey is UEUDYJPJFKMDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-11-8-6-10(7-9-11)12-4-2-1-3-5-13(16)15-12/h6-9,12H,1-5H2,(H,15,16).
What are the key properties of 8-(4-chlorophenyl)azocan-2-one?
8-(4-chlorophenyl)azocan-2-one has a molecular weight of 237.73 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)azocan-2-one is sourced from PubChem (CID 165492296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).