N-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine

C14H17N — CID 115696545

IUPACN-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine
SMILESC1=CCC(NC/C=C/c2ccccc2)C1
InChIInChI=1S/C14H17N/c1-2-7-13(8-3-1)9-6-12-15-14-10-4-5-11-14/h1-9,14-15H,10-12H2/b9-6+
InChIKeyZPIJGRSMFRPUTH-RMKNXTFCSA-N
MW199.30 g/mol
LogP3.01
Rot. Bonds4

About N-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine

N-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine (PubChem CID 115696545) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is N-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine
PubChem CID115696545
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC NameN-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine
SMILESC1=CCC(NC/C=C/c2ccccc2)C1
InChIInChI=1S/C14H17N/c1-2-7-13(8-3-1)9-6-12-15-14-10-4-5-11-14/h1-9,14-15H,10-12H2/b9-6+
InChIKeyZPIJGRSMFRPUTH-RMKNXTFCSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.01
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 N-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine (CID 115696545) is N-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine is C1=CCC(NC/C=C/c2ccccc2)C1.
What is the InChIKey of N-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine?
The InChIKey is ZPIJGRSMFRPUTH-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H17N/c1-2-7-13(8-3-1)9-6-12-15-14-10-4-5-11-14/h1-9,14-15H,10-12H2/b9-6+.
What are the key properties of N-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine?
N-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine has a molecular weight of 199.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine is sourced from PubChem (CID 115696545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).