(Z)-3-anilino-3-ethoxy-2-methylprop-2-enenitrile

C12H14N2O — CID 134986437

IUPAC(Z)-3-anilino-3-ethoxy-2-methylprop-2-enenitrile
SMILESCCO/C(Nc1ccccc1)=C(/C)C#N
InChIInChI=1S/C12H14N2O/c1-3-15-12(10(2)9-13)14-11-7-5-4-6-8-11/h4-8,14H,3H2,1-2H3/b12-10-
InChIKeyUUUGIXYRFWFEIN-BENRWUELSA-N
MW202.26 g/mol
LogP2.89
Rot. Bonds4

About (Z)-3-anilino-3-ethoxy-2-methylprop-2-enenitrile

(Z)-3-anilino-3-ethoxy-2-methylprop-2-enenitrile (PubChem CID 134986437) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (Z)-3-anilino-3-ethoxy-2-methylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-anilino-3-ethoxy-2-methylprop-2-enenitrile
PubChem CID134986437
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(Z)-3-anilino-3-ethoxy-2-methylprop-2-enenitrile
SMILESCCO/C(Nc1ccccc1)=C(/C)C#N
InChIInChI=1S/C12H14N2O/c1-3-15-12(10(2)9-13)14-11-7-5-4-6-8-11/h4-8,14H,3H2,1-2H3/b12-10-
InChIKeyUUUGIXYRFWFEIN-BENRWUELSA-N
XLogP2.89
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

3-anilino-3-ethoxyprop-2-enenitrile
CID 130012976
ethyl 3,3-dianilino-2-cyanoprop-2-enoate
CID 4184805
ethyl 3-anilino-2-cyano-3-oxopropanoate
CID 15707517
ethyl 3-anilino-3-cyanopropanoate
CID 66432357
ethyl (E)-3-anilino-3-ethoxyprop-2-enoate
CID 134965234
ethyl 3-anilino-3-oxopropanoate
CID 3016808
ethyl 2-methyl-2-(phenylcarbamoyl)butanoate
CID 142008434
ethyl (E)-3-anilino-2-chlorobut-2-enoate
CID 11345456
3-anilino-2-phenylbut-2-enenitrile
CID 134837967
ethyl (E)-3-(2-acetamidophenyl)-2-cyano-3-hydroxyprop-2-enoate
CID 54704706
ethyl (Z,4E)-5-anilino-2-cyano-5-oxo-3-phenyl-4-(phenylhydrazinylidene)pent-2-enoate
CID 139218656
(Z)-3-hydroxy-2-methyl-3-phenylprop-2-enenitrile
CID 102248734

Frequently Asked Questions

What is the IUPAC name of (Z)-3-anilino-3-ethoxy-2-methylprop-2-enenitrile?
The IUPAC name of (Z)-3-anilino-3-ethoxy-2-methylprop-2-enenitrile (CID 134986437) is (Z)-3-anilino-3-ethoxy-2-methylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-anilino-3-ethoxy-2-methylprop-2-enenitrile?
The canonical SMILES for (Z)-3-anilino-3-ethoxy-2-methylprop-2-enenitrile is CCO/C(Nc1ccccc1)=C(/C)C#N.
What is the InChIKey of (Z)-3-anilino-3-ethoxy-2-methylprop-2-enenitrile?
The InChIKey is UUUGIXYRFWFEIN-BENRWUELSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-15-12(10(2)9-13)14-11-7-5-4-6-8-11/h4-8,14H,3H2,1-2H3/b12-10-.
What are the key properties of (Z)-3-anilino-3-ethoxy-2-methylprop-2-enenitrile?
(Z)-3-anilino-3-ethoxy-2-methylprop-2-enenitrile has a molecular weight of 202.26 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-anilino-3-ethoxy-2-methylprop-2-enenitrile is sourced from PubChem (CID 134986437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).