(Z)-2-cyano-3-phenyl-N-propylprop-2-enamide

C13H14N2O — CID 177400804

IUPAC(Z)-2-cyano-3-phenyl-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\c1ccccc1
InChIInChI=1S/C13H14N2O/c1-2-8-15-13(16)12(10-14)9-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H,15,16)/b12-9-
InChIKeyZJVQRGTWMAUFTJ-XFXZXTDPSA-N
MW214.27 g/mol
LogP2.12
Rot. Bonds4

About (Z)-2-cyano-3-phenyl-N-propylprop-2-enamide

(Z)-2-cyano-3-phenyl-N-propylprop-2-enamide (PubChem CID 177400804) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (Z)-2-cyano-3-phenyl-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-phenyl-N-propylprop-2-enamide
PubChem CID177400804
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(Z)-2-cyano-3-phenyl-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\c1ccccc1
InChIInChI=1S/C13H14N2O/c1-2-8-15-13(16)12(10-14)9-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H,15,16)/b12-9-
InChIKeyZJVQRGTWMAUFTJ-XFXZXTDPSA-N
XLogP2.12
TPSA52.89 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 ≤ 52.12
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

(E)-2-cyano-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-propylprop-2-enamide
CID 178201524
2-cyano-N-[(4-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 3473703
(E)-N-butyl-3-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 2688873
N-butyl-2-cyano-3-pyridin-3-ylprop-2-enamide
CID 5020774
3-(2-butoxyphenyl)-2-cyano-N-propylprop-2-enamide
CID 3986173
(Z)-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide
CID 2382177
(E)-N-butyl-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 7745635
(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 19183535
4-[(E)-3-[3-[[(E)-3-(4-carboxyphenyl)-2-cyanoprop-2-enoyl]amino]propylamino]-2-cyano-3-oxoprop-1-enyl]benzoic acid
CID 11340416
(Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide
CID 108820394
(Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 2426715
(E)-2-cyano-3-[3-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl]-N-(2-methoxyethyl)prop-2-enamide
CID 2423595

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-phenyl-N-propylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-phenyl-N-propylprop-2-enamide (CID 177400804) is (Z)-2-cyano-3-phenyl-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-phenyl-N-propylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-phenyl-N-propylprop-2-enamide is CCCNC(=O)/C(C#N)=C\c1ccccc1.
What is the InChIKey of (Z)-2-cyano-3-phenyl-N-propylprop-2-enamide?
The InChIKey is ZJVQRGTWMAUFTJ-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-8-15-13(16)12(10-14)9-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H,15,16)/b12-9-.
What are the key properties of (Z)-2-cyano-3-phenyl-N-propylprop-2-enamide?
(Z)-2-cyano-3-phenyl-N-propylprop-2-enamide has a molecular weight of 214.27 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-phenyl-N-propylprop-2-enamide is sourced from PubChem (CID 177400804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).