2-cyano-3-(3-methylphenyl)prop-2-enamide

C11H10N2O — CID 3601300

IUPAC2-cyano-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(C=C(C#N)C(N)=O)c1
InChIInChI=1S/C11H10N2O/c1-8-3-2-4-9(5-8)6-10(7-12)11(13)14/h2-6H,1H3,(H2,13,14)
InChIKeyFMWZFCCTKYZOQI-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.39
Rot. Bonds2

About 2-cyano-3-(3-methylphenyl)prop-2-enamide

2-cyano-3-(3-methylphenyl)prop-2-enamide (PubChem CID 3601300) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-cyano-3-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(3-methylphenyl)prop-2-enamide
PubChem CID3601300
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-cyano-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(C=C(C#N)C(N)=O)c1
InChIInChI=1S/C11H10N2O/c1-8-3-2-4-9(5-8)6-10(7-12)11(13)14/h2-6H,1H3,(H2,13,14)
InChIKeyFMWZFCCTKYZOQI-UHFFFAOYSA-N
XLogP1.39
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl 2-cyano-3-(3-methylphenyl)prop-2-enoate
CID 78785744
(Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
CID 2057524
2-(4-methoxybenzoyl)-3-(3-methylphenyl)prop-2-enenitrile
CID 4828488
2-cyano-3-(3-phenoxyphenyl)prop-2-enamide
CID 3559677
(E)-3-(3-hydroxyphenyl)-2-(3-methylbenzoyl)prop-2-enenitrile
CID 18284234
2-cyano-3-[3-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]prop-2-enamide
CID 3656313
(2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide
CID 6069826
(E)-3-(3-methylphenyl)-2-methylsulfonylprop-2-enenitrile
CID 8828339
ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate
CID 733994
(E)-2-cyano-3-(3,4-difluorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 8862623
(E)-2-cyano-3-[3-(3,4-dichlorophenoxy)phenyl]prop-2-enamide
CID 155552183
2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide
CID 2853976

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(3-methylphenyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-(3-methylphenyl)prop-2-enamide (CID 3601300) is 2-cyano-3-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-(3-methylphenyl)prop-2-enamide is Cc1cccc(C=C(C#N)C(N)=O)c1.
What is the InChIKey of 2-cyano-3-(3-methylphenyl)prop-2-enamide?
The InChIKey is FMWZFCCTKYZOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-8-3-2-4-9(5-8)6-10(7-12)11(13)14/h2-6H,1H3,(H2,13,14).
What are the key properties of 2-cyano-3-(3-methylphenyl)prop-2-enamide?
2-cyano-3-(3-methylphenyl)prop-2-enamide has a molecular weight of 186.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 3601300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).