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

C14H17NO — CID 142575032

IUPAC(NE)-N-[[2-(2-phenylethyl)cyclopenten-1-yl]methylidene]hydroxylamine
SMILESO/N=C/C1=C(CCc2ccccc2)CCC1
InChIInChI=1S/C14H17NO/c16-15-11-14-8-4-7-13(14)10-9-12-5-2-1-3-6-12/h1-3,5-6,11,16H,4,7-10H2/b15-11+
InChIKeyJXTXTMXXVSLKGO-RVDMUPIBSA-N
MW215.30 g/mol
LogP3.56
Rot. Bonds4

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

(NE)-N-[[2-(2-phenylethyl)cyclopenten-1-yl]methylidene]hydroxylamine (PubChem CID 142575032) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (NE)-N-[[2-(2-phenylethyl)cyclopenten-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-(2-phenylethyl)cyclopenten-1-yl]methylidene]hydroxylamine
PubChem CID142575032
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(NE)-N-[[2-(2-phenylethyl)cyclopenten-1-yl]methylidene]hydroxylamine
SMILESO/N=C/C1=C(CCc2ccccc2)CCC1
InChIInChI=1S/C14H17NO/c16-15-11-14-8-4-7-13(14)10-9-12-5-2-1-3-6-12/h1-3,5-6,11,16H,4,7-10H2/b15-11+
InChIKeyJXTXTMXXVSLKGO-RVDMUPIBSA-N
XLogP3.56
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.56
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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Related Compounds

Benzaldehyde Oxime
CID 5324611
Phenylacetaldoxime
CID 99748
Terephthalaldehyde dioxime
CID 135482632
Cinnamaldehyde oxime
CID 9561350
(E)-Phenylacetaldehyde oxime
CID 9638853
(Z)-Phenylacetaldehyde oxime
CID 5939523
Benzaldehyde, p-fluoro-, oxime
CID 5372466
Benzeneacetaldehyde, alpha-(hydroxyimino)-, oxime
CID 135533051
N-methyl-alpha-phenylnitrone
CID 819870
4-Methylbenzaldehyde oxime
CID 5372131
N-((2-methylphenyl)methylidene)hydroxylamine
CID 6904185
1-Chloro-3,4-dihydro-2-naphthalenecarbaldehyde oxime
CID 9580488

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[2-(2-phenylethyl)cyclopenten-1-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-(2-phenylethyl)cyclopenten-1-yl]methylidene]hydroxylamine (CID 142575032) is (NE)-N-[[2-(2-phenylethyl)cyclopenten-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-(2-phenylethyl)cyclopenten-1-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-(2-phenylethyl)cyclopenten-1-yl]methylidene]hydroxylamine is O/N=C/C1=C(CCc2ccccc2)CCC1.
What is the InChIKey of (NE)-N-[[2-(2-phenylethyl)cyclopenten-1-yl]methylidene]hydroxylamine?
The InChIKey is JXTXTMXXVSLKGO-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H17NO/c16-15-11-14-8-4-7-13(14)10-9-12-5-2-1-3-6-12/h1-3,5-6,11,16H,4,7-10H2/b15-11+.
What are the key properties of (NE)-N-[[2-(2-phenylethyl)cyclopenten-1-yl]methylidene]hydroxylamine?
(NE)-N-[[2-(2-phenylethyl)cyclopenten-1-yl]methylidene]hydroxylamine has a molecular weight of 215.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-(2-phenylethyl)cyclopenten-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 142575032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).