methyl 2-cyano-2-phenyliminoacetate

C10H8N2O2 — CID 10845283

IUPACmethyl 2-cyano-2-phenyliminoacetate
SMILESCOC(=O)/C(C#N)=N/c1ccccc1
InChIInChI=1S/C10H8N2O2/c1-14-10(13)9(7-11)12-8-5-3-2-4-6-8/h2-6H,1H3/b12-9+
InChIKeyCYNIAFYPNHSNAN-FMIVXFBMSA-N
MW188.19 g/mol
LogP1.46
Rot. Bonds2

About methyl 2-cyano-2-phenyliminoacetate

methyl 2-cyano-2-phenyliminoacetate (PubChem CID 10845283) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is methyl 2-cyano-2-phenyliminoacetate.

Molecular Properties

Compound Namemethyl 2-cyano-2-phenyliminoacetate
PubChem CID10845283
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Namemethyl 2-cyano-2-phenyliminoacetate
SMILESCOC(=O)/C(C#N)=N/c1ccccc1
InChIInChI=1S/C10H8N2O2/c1-14-10(13)9(7-11)12-8-5-3-2-4-6-8/h2-6H,1H3/b12-9+
InChIKeyCYNIAFYPNHSNAN-FMIVXFBMSA-N
XLogP1.46
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-(ethyl cyano(2-phenylhydrazin-1-ylidene)formate)
CID 5367152
Ethyl 5-phenyliminodithiazole-4-carboxylate
CID 44569429
2-(Phenylimino)-3,3,3-trifluoropropionic acid ethyl ester
CID 15273553
Dimethyl 2-(phenylimino)malonate
CID 13331461
Methyl 3,3,3-trifluoro-2-(phenylimino)propanoate
CID 13699611
Ethyl 3-(4-fluorophenyl)iminobutanoate
CID 139237300
Ethyl (2E)-cyano(phenylhydrazono)ethanoate
CID 5354190
Acetic acid, cyano(phenylhydrazono)-, ethyl ester, (Z)-
CID 220325
Acetic acid, (phenylimino)-, ethyl ester
CID 7095267
Phenyldiazonium acetate
CID 12286819
Methyl 3-phenyliminobutanoate
CID 19796785
Ethyl 3-phenyliminobutanoate
CID 19796791

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyano-2-phenyliminoacetate?
The IUPAC name of methyl 2-cyano-2-phenyliminoacetate (CID 10845283) is methyl 2-cyano-2-phenyliminoacetate.
What is the SMILES notation for methyl 2-cyano-2-phenyliminoacetate?
The canonical SMILES for methyl 2-cyano-2-phenyliminoacetate is COC(=O)/C(C#N)=N/c1ccccc1.
What is the InChIKey of methyl 2-cyano-2-phenyliminoacetate?
The InChIKey is CYNIAFYPNHSNAN-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-14-10(13)9(7-11)12-8-5-3-2-4-6-8/h2-6H,1H3/b12-9+.
What are the key properties of methyl 2-cyano-2-phenyliminoacetate?
methyl 2-cyano-2-phenyliminoacetate has a molecular weight of 188.19 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyano-2-phenyliminoacetate is sourced from PubChem (CID 10845283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).