(NE)-N-[(2S)-2-phenylmethoxypropylidene]hydroxylamine

C10H13NO2 — CID 11052224

IUPAC(NE)-N-[(2S)-2-phenylmethoxypropylidene]hydroxylamine
SMILESC[C@@H](/C=N/O)OCc1ccccc1
InChIInChI=1S/C10H13NO2/c1-9(7-11-12)13-8-10-5-3-2-4-6-10/h2-7,9,12H,8H2,1H3/b11-7+/t9-/m0/s1
InChIKeyPTTDPTIVNAQJIA-FKVCUQLRSA-N
MW179.22 g/mol
LogP2.05
Rot. Bonds4

About (NE)-N-[(2S)-2-phenylmethoxypropylidene]hydroxylamine

(NE)-N-[(2S)-2-phenylmethoxypropylidene]hydroxylamine (PubChem CID 11052224) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (NE)-N-[(2S)-2-phenylmethoxypropylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2S)-2-phenylmethoxypropylidene]hydroxylamine
PubChem CID11052224
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(NE)-N-[(2S)-2-phenylmethoxypropylidene]hydroxylamine
SMILESC[C@@H](/C=N/O)OCc1ccccc1
InChIInChI=1S/C10H13NO2/c1-9(7-11-12)13-8-10-5-3-2-4-6-10/h2-7,9,12H,8H2,1H3/b11-7+/t9-/m0/s1
InChIKeyPTTDPTIVNAQJIA-FKVCUQLRSA-N
XLogP2.05
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze (NE)-N-[(2S)-2-phenylmethoxypropylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-hydroxybenzenecarboximidate
CID 9602988
[(2S,3S,6R)-3-[(Z)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol
CID 16758487
5-(2-Fluorophenyl)-4,5-dihydroisoxazole
CID 129838346
Benzohydroximic acid, (E)-
CID 5875440
5-Phenylisoxazoline
CID 568817
Pentanal O-benzyloxime
CID 9602269
N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]propan-2-imine
CID 6518396
(3-(Benzyloxy)-4,5-dihydroisoxazol-5-yl)methanamine
CID 14601442
(NZ)-N-[(4R,5S)-4-fluoro-5-phenyloxolan-2-ylidene]hydroxylamine
CID 122369708
(NZ)-N-[(4S,5S)-4-fluoro-5-phenyloxolan-2-ylidene]hydroxylamine
CID 122369709
(Z)-Benzohydroximic acid ethyl ester
CID 5381217
(2S)-N-benzyl-2-phenylmethoxypropan-1-imine oxide
CID 2753974

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2S)-2-phenylmethoxypropylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2S)-2-phenylmethoxypropylidene]hydroxylamine (CID 11052224) is (NE)-N-[(2S)-2-phenylmethoxypropylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2S)-2-phenylmethoxypropylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2S)-2-phenylmethoxypropylidene]hydroxylamine is C[C@@H](/C=N/O)OCc1ccccc1.
What is the InChIKey of (NE)-N-[(2S)-2-phenylmethoxypropylidene]hydroxylamine?
The InChIKey is PTTDPTIVNAQJIA-FKVCUQLRSA-N. The full InChI is InChI=1S/C10H13NO2/c1-9(7-11-12)13-8-10-5-3-2-4-6-10/h2-7,9,12H,8H2,1H3/b11-7+/t9-/m0/s1.
What are the key properties of (NE)-N-[(2S)-2-phenylmethoxypropylidene]hydroxylamine?
(NE)-N-[(2S)-2-phenylmethoxypropylidene]hydroxylamine has a molecular weight of 179.22 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2S)-2-phenylmethoxypropylidene]hydroxylamine is sourced from PubChem (CID 11052224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).