1-(2-cyanophenyl)cyclopentane-1-carbonyl chloride

C13H12ClNO — CID 117047162

IUPAC1-(2-cyanophenyl)cyclopentane-1-carbonyl chloride
SMILESN#Cc1ccccc1C1(C(=O)Cl)CCCC1
InChIInChI=1S/C13H12ClNO/c14-12(16)13(7-3-4-8-13)11-6-2-1-5-10(11)9-15/h1-2,5-6H,3-4,7-8H2
InChIKeyHYZGAECAAJIEDR-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.14
Rot. Bonds2

About 1-(2-cyanophenyl)cyclopentane-1-carbonyl chloride

1-(2-cyanophenyl)cyclopentane-1-carbonyl chloride (PubChem CID 117047162) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 1-(2-cyanophenyl)cyclopentane-1-carbonyl chloride.

Molecular Properties

Compound Name1-(2-cyanophenyl)cyclopentane-1-carbonyl chloride
PubChem CID117047162
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name1-(2-cyanophenyl)cyclopentane-1-carbonyl chloride
SMILESN#Cc1ccccc1C1(C(=O)Cl)CCCC1
InChIInChI=1S/C13H12ClNO/c14-12(16)13(7-3-4-8-13)11-6-2-1-5-10(11)9-15/h1-2,5-6H,3-4,7-8H2
InChIKeyHYZGAECAAJIEDR-UHFFFAOYSA-N
XLogP3.14
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)cyclopentane-1-carbonyl chloride?
The IUPAC name of 1-(2-cyanophenyl)cyclopentane-1-carbonyl chloride (CID 117047162) is 1-(2-cyanophenyl)cyclopentane-1-carbonyl chloride.
What is the SMILES notation for 1-(2-cyanophenyl)cyclopentane-1-carbonyl chloride?
The canonical SMILES for 1-(2-cyanophenyl)cyclopentane-1-carbonyl chloride is N#Cc1ccccc1C1(C(=O)Cl)CCCC1.
What is the InChIKey of 1-(2-cyanophenyl)cyclopentane-1-carbonyl chloride?
The InChIKey is HYZGAECAAJIEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-12(16)13(7-3-4-8-13)11-6-2-1-5-10(11)9-15/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 1-(2-cyanophenyl)cyclopentane-1-carbonyl chloride?
1-(2-cyanophenyl)cyclopentane-1-carbonyl chloride has a molecular weight of 233.70 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)cyclopentane-1-carbonyl chloride is sourced from PubChem (CID 117047162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).