[[cyano(phenyl)methylidene]amino] 2-methylprop-2-enoate

C12H10N2O2 — CID 76686683

IUPAC[[cyano(phenyl)methylidene]amino] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ON=C(C#N)c1ccccc1
InChIInChI=1S/C12H10N2O2/c1-9(2)12(15)16-14-11(8-13)10-6-4-3-5-7-10/h3-7H,1H2,2H3
InChIKeyXDVKEJWWMJHFBB-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.03
Rot. Bonds3

About [[cyano(phenyl)methylidene]amino] 2-methylprop-2-enoate

[[cyano(phenyl)methylidene]amino] 2-methylprop-2-enoate (PubChem CID 76686683) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is [[cyano(phenyl)methylidene]amino] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[[cyano(phenyl)methylidene]amino] 2-methylprop-2-enoate
PubChem CID76686683
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name[[cyano(phenyl)methylidene]amino] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ON=C(C#N)c1ccccc1
InChIInChI=1S/C12H10N2O2/c1-9(2)12(15)16-14-11(8-13)10-6-4-3-5-7-10/h3-7H,1H2,2H3
InChIKeyXDVKEJWWMJHFBB-UHFFFAOYSA-N
XLogP2.03
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[cyano(phenyl)methylidene]amino] 2-methylprop-2-enoate 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

[[cyano(phenyl)methylidene]amino] benzoate
CID 73037880
[(E)-1-phenylethylideneamino] 2-methylprop-2-enoate
CID 14745058
tert-butyl [(Z)-[cyano(phenyl)methylidene]amino] carbonate
CID 5365066
2-hydroxyimino-2-phenylacetonitrile;methyl cyanate
CID 173433302
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407
N-(benzhydrylideneamino)benzenecarboximidoyl cyanide
CID 165353120
[(Z)-[cyano(phenyl)methylidene]amino] (5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-yl) carbonate
CID 71310721
[[cyano(phenyl)methylidene]amino] butane-1-sulfonate
CID 87424810
(E)-N-[amino(ethoxy)phosphoryl]oxybenzenecarboximidoyl cyanide
CID 101123811
(diaminomethylideneamino) 2-methylprop-2-enoate
CID 87840247
[(Z)-[cyano(phenyl)methylidene]amino] (1,1,1,2,2,3,3,4,4,12,12,13,13,14,14,15,15,15-octadecafluoro-8-methylpentadecan-8-yl) carbonate
CID 11136380
1,2-bis(ethenyl)benzene;methyl 2-methylprop-2-enoate;prop-2-enenitrile;styrene
CID 6454412

Frequently Asked Questions

What is the IUPAC name of [[cyano(phenyl)methylidene]amino] 2-methylprop-2-enoate?
The IUPAC name of [[cyano(phenyl)methylidene]amino] 2-methylprop-2-enoate (CID 76686683) is [[cyano(phenyl)methylidene]amino] 2-methylprop-2-enoate.
What is the SMILES notation for [[cyano(phenyl)methylidene]amino] 2-methylprop-2-enoate?
The canonical SMILES for [[cyano(phenyl)methylidene]amino] 2-methylprop-2-enoate is C=C(C)C(=O)ON=C(C#N)c1ccccc1.
What is the InChIKey of [[cyano(phenyl)methylidene]amino] 2-methylprop-2-enoate?
The InChIKey is XDVKEJWWMJHFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-9(2)12(15)16-14-11(8-13)10-6-4-3-5-7-10/h3-7H,1H2,2H3.
What are the key properties of [[cyano(phenyl)methylidene]amino] 2-methylprop-2-enoate?
[[cyano(phenyl)methylidene]amino] 2-methylprop-2-enoate has a molecular weight of 214.22 g/mol, XLogP of 2.03, 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] 2-methylprop-2-enoate is sourced from PubChem (CID 76686683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).