(E)-2-cyano-4-methyl-5-phenylpent-4-enamide

C13H14N2O — CID 57397722

IUPAC(E)-2-cyano-4-methyl-5-phenylpent-4-enamide
SMILESC/C(=C\c1ccccc1)CC(C#N)C(N)=O
InChIInChI=1S/C13H14N2O/c1-10(8-12(9-14)13(15)16)7-11-5-3-2-4-6-11/h2-7,12H,8H2,1H3,(H2,15,16)/b10-7+
InChIKeyWROOKDOEXDHWDK-JXMROGBWSA-N
MW214.27 g/mol
LogP2.11
Rot. Bonds4

About (E)-2-cyano-4-methyl-5-phenylpent-4-enamide

(E)-2-cyano-4-methyl-5-phenylpent-4-enamide (PubChem CID 57397722) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (E)-2-cyano-4-methyl-5-phenylpent-4-enamide.

Molecular Properties

Compound Name(E)-2-cyano-4-methyl-5-phenylpent-4-enamide
PubChem CID57397722
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(E)-2-cyano-4-methyl-5-phenylpent-4-enamide
SMILESC/C(=C\c1ccccc1)CC(C#N)C(N)=O
InChIInChI=1S/C13H14N2O/c1-10(8-12(9-14)13(15)16)7-11-5-3-2-4-6-11/h2-7,12H,8H2,1H3,(H2,15,16)/b10-7+
InChIKeyWROOKDOEXDHWDK-JXMROGBWSA-N
XLogP2.11
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-phenylbut-3-enamide
CID 23660
(E)-2,4-dimethyl-5-phenylpent-4-enal
CID 58390606
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847
2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide
CID 69252913
(2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide
CID 6069826
ethyl 2-cyano-5-phenylpent-4-enoate
CID 72737820
2-benzyl-3-oxobutanenitrile;hydrate
CID 22323303
5-methyl-6-phenylhex-5-en-3-one
CID 71411119
3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide
CID 115875443
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
(3R)-N-methyl-3-[methyl-[(E)-2-methyl-3-phenylprop-2-enyl]amino]butanamide
CID 95125280
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-4-methyl-5-phenylpent-4-enamide?
The IUPAC name of (E)-2-cyano-4-methyl-5-phenylpent-4-enamide (CID 57397722) is (E)-2-cyano-4-methyl-5-phenylpent-4-enamide.
What is the SMILES notation for (E)-2-cyano-4-methyl-5-phenylpent-4-enamide?
The canonical SMILES for (E)-2-cyano-4-methyl-5-phenylpent-4-enamide is C/C(=C\c1ccccc1)CC(C#N)C(N)=O.
What is the InChIKey of (E)-2-cyano-4-methyl-5-phenylpent-4-enamide?
The InChIKey is WROOKDOEXDHWDK-JXMROGBWSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10(8-12(9-14)13(15)16)7-11-5-3-2-4-6-11/h2-7,12H,8H2,1H3,(H2,15,16)/b10-7+.
What are the key properties of (E)-2-cyano-4-methyl-5-phenylpent-4-enamide?
(E)-2-cyano-4-methyl-5-phenylpent-4-enamide has a molecular weight of 214.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-4-methyl-5-phenylpent-4-enamide is sourced from PubChem (CID 57397722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).