(3E)-3-phenylmethoxyiminocyclopentane-1-carbonitrile

C13H14N2O — CID 118511391

IUPAC(3E)-3-phenylmethoxyiminocyclopentane-1-carbonitrile
SMILESN#CC1CC/C(=N\OCc2ccccc2)C1
InChIInChI=1S/C13H14N2O/c14-9-12-6-7-13(8-12)15-16-10-11-4-2-1-3-5-11/h1-5,12H,6-8,10H2/b15-13+
InChIKeyMICCRQGYTBKTHH-FYWRMAATSA-N
MW214.27 g/mol
LogP2.88
Rot. Bonds3

About (3E)-3-phenylmethoxyiminocyclopentane-1-carbonitrile

(3E)-3-phenylmethoxyiminocyclopentane-1-carbonitrile (PubChem CID 118511391) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (3E)-3-phenylmethoxyiminocyclopentane-1-carbonitrile.

Molecular Properties

Compound Name(3E)-3-phenylmethoxyiminocyclopentane-1-carbonitrile
PubChem CID118511391
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(3E)-3-phenylmethoxyiminocyclopentane-1-carbonitrile
SMILESN#CC1CC/C(=N\OCc2ccccc2)C1
InChIInChI=1S/C13H14N2O/c14-9-12-6-7-13(8-12)15-16-10-11-4-2-1-3-5-11/h1-5,12H,6-8,10H2/b15-13+
InChIKeyMICCRQGYTBKTHH-FYWRMAATSA-N
XLogP2.88
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,5Z)-5-phenylmethoxyiminopiperidine-2-carboxylic acid
CID 154721713
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine
CID 123594616
(2S,6R)-2,6-bis(4-methylphenyl)-N-phenylmethoxythian-4-imine
CID 45272147
2-methyl-N-phenylmethoxy-1,3-dithian-5-imine
CID 2805584
1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylmethoxyiminopiperidine-2-carboxylic acid
CID 137497753
benzyl (2S)-1-benzyl-5-phenylmethoxyiminopiperidine-2-carboxylate
CID 86675003
1-N,4-N-bis(phenylmethoxy)cyclohexane-1,4-diimine;5,5-dimethyl-1-N,3-N-bis(phenylmethoxy)cyclohexane-1,3-diimine
CID 89297713
(2S)-N-benzyl-5-phenylmethoxyiminopiperidine-2-carboxamide
CID 158476039
4-triphenylsilyloxyiminocyclooctane-1-carbonitrile
CID 140887636
1-benzylazetidine-3-carbonitrile
CID 19814762
9-oxo-5,6,7,8-tetrahydrobenzo[7]annulene-6-carbonitrile
CID 101048783
1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine
CID 87328565

Frequently Asked Questions

What is the IUPAC name of (3E)-3-phenylmethoxyiminocyclopentane-1-carbonitrile?
The IUPAC name of (3E)-3-phenylmethoxyiminocyclopentane-1-carbonitrile (CID 118511391) is (3E)-3-phenylmethoxyiminocyclopentane-1-carbonitrile.
What is the SMILES notation for (3E)-3-phenylmethoxyiminocyclopentane-1-carbonitrile?
The canonical SMILES for (3E)-3-phenylmethoxyiminocyclopentane-1-carbonitrile is N#CC1CC/C(=N\OCc2ccccc2)C1.
What is the InChIKey of (3E)-3-phenylmethoxyiminocyclopentane-1-carbonitrile?
The InChIKey is MICCRQGYTBKTHH-FYWRMAATSA-N. The full InChI is InChI=1S/C13H14N2O/c14-9-12-6-7-13(8-12)15-16-10-11-4-2-1-3-5-11/h1-5,12H,6-8,10H2/b15-13+.
What are the key properties of (3E)-3-phenylmethoxyiminocyclopentane-1-carbonitrile?
(3E)-3-phenylmethoxyiminocyclopentane-1-carbonitrile has a molecular weight of 214.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-phenylmethoxyiminocyclopentane-1-carbonitrile is sourced from PubChem (CID 118511391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).