(NE)-N-[(2-phenylcyclopenten-1-yl)methylidene]hydroxylamine

C12H13NO — CID 142575031

IUPAC(NE)-N-[(2-phenylcyclopenten-1-yl)methylidene]hydroxylamine
SMILESO/N=C/C1=C(c2ccccc2)CCC1
InChIInChI=1S/C12H13NO/c14-13-9-11-7-4-8-12(11)10-5-2-1-3-6-10/h1-3,5-6,9,14H,4,7-8H2/b13-9+
InChIKeyYJYCMNFXJZOWSO-UKTHLTGXSA-N
MW187.24 g/mol
LogP3.08
Rot. Bonds2

About (NE)-N-[(2-phenylcyclopenten-1-yl)methylidene]hydroxylamine

(NE)-N-[(2-phenylcyclopenten-1-yl)methylidene]hydroxylamine (PubChem CID 142575031) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (NE)-N-[(2-phenylcyclopenten-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-phenylcyclopenten-1-yl)methylidene]hydroxylamine
PubChem CID142575031
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(NE)-N-[(2-phenylcyclopenten-1-yl)methylidene]hydroxylamine
SMILESO/N=C/C1=C(c2ccccc2)CCC1
InChIInChI=1S/C12H13NO/c14-13-9-11-7-4-8-12(11)10-5-2-1-3-6-10/h1-3,5-6,9,14H,4,7-8H2/b13-9+
InChIKeyYJYCMNFXJZOWSO-UKTHLTGXSA-N
XLogP3.08
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.08
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-phenylcyclopenten-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-phenylcyclopenten-1-yl)methylidene]hydroxylamine (CID 142575031) is (NE)-N-[(2-phenylcyclopenten-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-phenylcyclopenten-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-phenylcyclopenten-1-yl)methylidene]hydroxylamine is O/N=C/C1=C(c2ccccc2)CCC1.
What is the InChIKey of (NE)-N-[(2-phenylcyclopenten-1-yl)methylidene]hydroxylamine?
The InChIKey is YJYCMNFXJZOWSO-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H13NO/c14-13-9-11-7-4-8-12(11)10-5-2-1-3-6-10/h1-3,5-6,9,14H,4,7-8H2/b13-9+.
What are the key properties of (NE)-N-[(2-phenylcyclopenten-1-yl)methylidene]hydroxylamine?
(NE)-N-[(2-phenylcyclopenten-1-yl)methylidene]hydroxylamine has a molecular weight of 187.24 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-phenylcyclopenten-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 142575031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).