[[cyano(phenyl)methylidene]amino] benzoate

C15H10N2O2 — CID 73037880

IUPAC[[cyano(phenyl)methylidene]amino] benzoate
SMILESN#CC(=NOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H10N2O2/c16-11-14(12-7-3-1-4-8-12)17-19-15(18)13-9-5-2-6-10-13/h1-10H
InChIKeySNJHDYTZDRXUGT-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.77
Rot. Bonds3

About [[cyano(phenyl)methylidene]amino] benzoate

[[cyano(phenyl)methylidene]amino] benzoate (PubChem CID 73037880) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is [[cyano(phenyl)methylidene]amino] benzoate.

Molecular Properties

Compound Name[[cyano(phenyl)methylidene]amino] benzoate
PubChem CID73037880
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name[[cyano(phenyl)methylidene]amino] benzoate
SMILESN#CC(=NOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H10N2O2/c16-11-14(12-7-3-1-4-8-12)17-19-15(18)13-9-5-2-6-10-13/h1-10H
InChIKeySNJHDYTZDRXUGT-UHFFFAOYSA-N
XLogP2.77
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[cyano(phenyl)methylidene]amino] 2-methylprop-2-enoate
CID 76686683
tert-butyl [(Z)-[cyano(phenyl)methylidene]amino] carbonate
CID 5365066
[(E)-[amino(phenyl)methylidene]amino] benzoate
CID 6149734
[[amino-[4-(N'-benzoyloxycarbamimidoyl)phenyl]methylidene]amino] benzoate
CID 58767880
[(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate
CID 6537974
2-hydroxyimino-2-phenylacetonitrile;methyl cyanate
CID 173433302
[[phenyl(pyridin-4-yl)methylidene]amino] benzoate
CID 3506400
[(Z)-[acetamido(phenyl)methylidene]amino] benzoate
CID 135525655
[(Z)-[cyano(phenyl)methylidene]amino] (5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-yl) carbonate
CID 71310721
N-pentoxybenzenecarboximidoyl cyanide
CID 175114895
N-(benzhydrylideneamino)benzenecarboximidoyl cyanide
CID 165353120
[(Z)-[cyano-(3-phenoxyphenyl)methylidene]amino] piperidine-1-carboxylate
CID 10360432

Frequently Asked Questions

What is the IUPAC name of [[cyano(phenyl)methylidene]amino] benzoate?
The IUPAC name of [[cyano(phenyl)methylidene]amino] benzoate (CID 73037880) is [[cyano(phenyl)methylidene]amino] benzoate.
What is the SMILES notation for [[cyano(phenyl)methylidene]amino] benzoate?
The canonical SMILES for [[cyano(phenyl)methylidene]amino] benzoate is N#CC(=NOC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [[cyano(phenyl)methylidene]amino] benzoate?
The InChIKey is SNJHDYTZDRXUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c16-11-14(12-7-3-1-4-8-12)17-19-15(18)13-9-5-2-6-10-13/h1-10H.
What are the key properties of [[cyano(phenyl)methylidene]amino] benzoate?
[[cyano(phenyl)methylidene]amino] benzoate has a molecular weight of 250.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[cyano(phenyl)methylidene]amino] benzoate is sourced from PubChem (CID 73037880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).