[1-(4-chlorophenyl)cyclopent-3-en-1-yl]methanamine

C12H14ClN — CID 65353191

IUPAC[1-(4-chlorophenyl)cyclopent-3-en-1-yl]methanamine
SMILESNCC1(c2ccc(Cl)cc2)CC=CC1
InChIInChI=1S/C12H14ClN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h1-6H,7-9,14H2
InChIKeyWJDMRIAMSWKQON-UHFFFAOYSA-N
MW207.70 g/mol
LogP2.89
Rot. Bonds2

About [1-(4-chlorophenyl)cyclopent-3-en-1-yl]methanamine

[1-(4-chlorophenyl)cyclopent-3-en-1-yl]methanamine (PubChem CID 65353191) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopent-3-en-1-yl]methanamine.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopent-3-en-1-yl]methanamine
PubChem CID65353191
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name[1-(4-chlorophenyl)cyclopent-3-en-1-yl]methanamine
SMILESNCC1(c2ccc(Cl)cc2)CC=CC1
InChIInChI=1S/C12H14ClN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h1-6H,7-9,14H2
InChIKeyWJDMRIAMSWKQON-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopent-3-en-1-yl]methanamine?
The IUPAC name of [1-(4-chlorophenyl)cyclopent-3-en-1-yl]methanamine (CID 65353191) is [1-(4-chlorophenyl)cyclopent-3-en-1-yl]methanamine.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopent-3-en-1-yl]methanamine?
The canonical SMILES for [1-(4-chlorophenyl)cyclopent-3-en-1-yl]methanamine is NCC1(c2ccc(Cl)cc2)CC=CC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopent-3-en-1-yl]methanamine?
The InChIKey is WJDMRIAMSWKQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h1-6H,7-9,14H2.
What are the key properties of [1-(4-chlorophenyl)cyclopent-3-en-1-yl]methanamine?
[1-(4-chlorophenyl)cyclopent-3-en-1-yl]methanamine has a molecular weight of 207.70 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopent-3-en-1-yl]methanamine is sourced from PubChem (CID 65353191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).