(NE)-N-[cyclopenta-2,4-dien-1-yl(phenyl)methylidene]hydroxylamine

C12H11NO — CID 11987098

IUPAC(NE)-N-[cyclopenta-2,4-dien-1-yl(phenyl)methylidene]hydroxylamine
SMILESO/N=C(/c1ccccc1)C1C=CC=C1
InChIInChI=1S/C12H11NO/c14-13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-9,11,14H/b13-12-
InChIKeyDNUPPQMQIUWFIS-SEYXRHQNSA-N
MW185.23 g/mol
LogP2.61
Rot. Bonds2

About (NE)-N-[cyclopenta-2,4-dien-1-yl(phenyl)methylidene]hydroxylamine

(NE)-N-[cyclopenta-2,4-dien-1-yl(phenyl)methylidene]hydroxylamine (PubChem CID 11987098) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is (NE)-N-[cyclopenta-2,4-dien-1-yl(phenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[cyclopenta-2,4-dien-1-yl(phenyl)methylidene]hydroxylamine
PubChem CID11987098
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name(NE)-N-[cyclopenta-2,4-dien-1-yl(phenyl)methylidene]hydroxylamine
SMILESO/N=C(/c1ccccc1)C1C=CC=C1
InChIInChI=1S/C12H11NO/c14-13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-9,11,14H/b13-12-
InChIKeyDNUPPQMQIUWFIS-SEYXRHQNSA-N
XLogP2.61
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.61
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

1-cyclopenta-2,4-dien-1-yl-N-(4-methylphenyl)-1-phenylmethanimine
CID 15182209
N-[phenyl-(3-phenyloxiran-2-yl)methylidene]hydroxylamine
CID 154634033
(E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine
CID 177467304
(NZ)-N-[phenyl(3-tricyclo[2.2.1.02,6]heptanyl)methylidene]hydroxylamine
CID 6369716
[1,8-di(cyclopenta-2,4-dien-1-yl)-8-phenylocta-1,2,3,4,5,6,7-heptaenyl]benzene
CID 101344765
2-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one
CID 136630217
(NZ)-N-[phenyl(piperidin-2-yl)methylidene]hydroxylamine
CID 82396550
(NE)-N-[(2-methylidenecyclohexyl)-phenylmethylidene]hydroxylamine
CID 46221099
(NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine
CID 170909172
N'-hydroxybenzenecarboximidamide
CID 142861747
benzoic acid;(1R,2S)-cyclohexa-3,5-diene-1,2-diol
CID 71406115
sodium N-hydroxybenzenecarboximidate
CID 141386787

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[cyclopenta-2,4-dien-1-yl(phenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[cyclopenta-2,4-dien-1-yl(phenyl)methylidene]hydroxylamine (CID 11987098) is (NE)-N-[cyclopenta-2,4-dien-1-yl(phenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[cyclopenta-2,4-dien-1-yl(phenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[cyclopenta-2,4-dien-1-yl(phenyl)methylidene]hydroxylamine is O/N=C(/c1ccccc1)C1C=CC=C1.
What is the InChIKey of (NE)-N-[cyclopenta-2,4-dien-1-yl(phenyl)methylidene]hydroxylamine?
The InChIKey is DNUPPQMQIUWFIS-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H11NO/c14-13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-9,11,14H/b13-12-.
What are the key properties of (NE)-N-[cyclopenta-2,4-dien-1-yl(phenyl)methylidene]hydroxylamine?
(NE)-N-[cyclopenta-2,4-dien-1-yl(phenyl)methylidene]hydroxylamine has a molecular weight of 185.23 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[cyclopenta-2,4-dien-1-yl(phenyl)methylidene]hydroxylamine is sourced from PubChem (CID 11987098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).