(NE)-N-[[2-[(E)-3-phenylprop-1-enyl]cyclopenten-1-yl]methylidene]hydroxylamine

C15H17NO — CID 142575043

IUPAC(NE)-N-[[2-[(E)-3-phenylprop-1-enyl]cyclopenten-1-yl]methylidene]hydroxylamine
SMILESO/N=C/C1=C(/C=C/Cc2ccccc2)CCC1
InChIInChI=1S/C15H17NO/c17-16-12-15-11-5-10-14(15)9-4-8-13-6-2-1-3-7-13/h1-4,6-7,9,12,17H,5,8,10-11H2/b9-4+,16-12+
InChIKeyVEBMNGPBQXMQHV-CUAATHQPSA-N
MW227.31 g/mol
LogP3.73
Rot. Bonds4

About (NE)-N-[[2-[(E)-3-phenylprop-1-enyl]cyclopenten-1-yl]methylidene]hydroxylamine

(NE)-N-[[2-[(E)-3-phenylprop-1-enyl]cyclopenten-1-yl]methylidene]hydroxylamine (PubChem CID 142575043) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (NE)-N-[[2-[(E)-3-phenylprop-1-enyl]cyclopenten-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-[(E)-3-phenylprop-1-enyl]cyclopenten-1-yl]methylidene]hydroxylamine
PubChem CID142575043
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(NE)-N-[[2-[(E)-3-phenylprop-1-enyl]cyclopenten-1-yl]methylidene]hydroxylamine
SMILESO/N=C/C1=C(/C=C/Cc2ccccc2)CCC1
InChIInChI=1S/C15H17NO/c17-16-12-15-11-5-10-14(15)9-4-8-13-6-2-1-3-7-13/h1-4,6-7,9,12,17H,5,8,10-11H2/b9-4+,16-12+
InChIKeyVEBMNGPBQXMQHV-CUAATHQPSA-N
XLogP3.73
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[2-[(E)-3-phenylprop-1-enyl]cyclopenten-1-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-[(E)-3-phenylprop-1-enyl]cyclopenten-1-yl]methylidene]hydroxylamine (CID 142575043) is (NE)-N-[[2-[(E)-3-phenylprop-1-enyl]cyclopenten-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-[(E)-3-phenylprop-1-enyl]cyclopenten-1-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-[(E)-3-phenylprop-1-enyl]cyclopenten-1-yl]methylidene]hydroxylamine is O/N=C/C1=C(/C=C/Cc2ccccc2)CCC1.
What is the InChIKey of (NE)-N-[[2-[(E)-3-phenylprop-1-enyl]cyclopenten-1-yl]methylidene]hydroxylamine?
The InChIKey is VEBMNGPBQXMQHV-CUAATHQPSA-N. The full InChI is InChI=1S/C15H17NO/c17-16-12-15-11-5-10-14(15)9-4-8-13-6-2-1-3-7-13/h1-4,6-7,9,12,17H,5,8,10-11H2/b9-4+,16-12+.
What are the key properties of (NE)-N-[[2-[(E)-3-phenylprop-1-enyl]cyclopenten-1-yl]methylidene]hydroxylamine?
(NE)-N-[[2-[(E)-3-phenylprop-1-enyl]cyclopenten-1-yl]methylidene]hydroxylamine has a molecular weight of 227.31 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-[(E)-3-phenylprop-1-enyl]cyclopenten-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 142575043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).