(NE)-N-[(1-phenylcyclopentyl)methylidene]hydroxylamine

C12H15NO — CID 19971655

IUPAC(NE)-N-[(1-phenylcyclopentyl)methylidene]hydroxylamine
SMILESO/N=C/C1(c2ccccc2)CCCC1
InChIInChI=1S/C12H15NO/c14-13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,10,14H,4-5,8-9H2/b13-10+
InChIKeyHRSVYFSYCFKHKT-JLHYYAGUSA-N
MW189.26 g/mol
LogP2.96
Rot. Bonds2

About (NE)-N-[(1-phenylcyclopentyl)methylidene]hydroxylamine

(NE)-N-[(1-phenylcyclopentyl)methylidene]hydroxylamine (PubChem CID 19971655) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (NE)-N-[(1-phenylcyclopentyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1-phenylcyclopentyl)methylidene]hydroxylamine
PubChem CID19971655
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(NE)-N-[(1-phenylcyclopentyl)methylidene]hydroxylamine
SMILESO/N=C/C1(c2ccccc2)CCCC1
InChIInChI=1S/C12H15NO/c14-13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,10,14H,4-5,8-9H2/b13-10+
InChIKeyHRSVYFSYCFKHKT-JLHYYAGUSA-N
XLogP2.96
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.96
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-[(1-phenylcyclopentyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1-phenylcyclopentyl)methylidene]hydroxylamine (CID 19971655) is (NE)-N-[(1-phenylcyclopentyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1-phenylcyclopentyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1-phenylcyclopentyl)methylidene]hydroxylamine is O/N=C/C1(c2ccccc2)CCCC1.
What is the InChIKey of (NE)-N-[(1-phenylcyclopentyl)methylidene]hydroxylamine?
The InChIKey is HRSVYFSYCFKHKT-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H15NO/c14-13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,10,14H,4-5,8-9H2/b13-10+.
What are the key properties of (NE)-N-[(1-phenylcyclopentyl)methylidene]hydroxylamine?
(NE)-N-[(1-phenylcyclopentyl)methylidene]hydroxylamine has a molecular weight of 189.26 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1-phenylcyclopentyl)methylidene]hydroxylamine is sourced from PubChem (CID 19971655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).