(Z)-2-cyano-3-(4-methoxyphenyl)-N-prop-2-enylprop-2-enamide

C14H14N2O2 — CID 2133142

IUPAC(Z)-2-cyano-3-(4-methoxyphenyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C(C#N)=C\c1ccc(OC)cc1
InChIInChI=1S/C14H14N2O2/c1-3-8-16-14(17)12(10-15)9-11-4-6-13(18-2)7-5-11/h3-7,9H,1,8H2,2H3,(H,16,17)/b12-9-
InChIKeyYQEDALOAZHOAOB-XFXZXTDPSA-N
MW242.28 g/mol
LogP1.90
Rot. Bonds5

About (Z)-2-cyano-3-(4-methoxyphenyl)-N-prop-2-enylprop-2-enamide

(Z)-2-cyano-3-(4-methoxyphenyl)-N-prop-2-enylprop-2-enamide (PubChem CID 2133142) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-methoxyphenyl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4-methoxyphenyl)-N-prop-2-enylprop-2-enamide
PubChem CID2133142
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(Z)-2-cyano-3-(4-methoxyphenyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C(C#N)=C\c1ccc(OC)cc1
InChIInChI=1S/C14H14N2O2/c1-3-8-16-14(17)12(10-15)9-11-4-6-13(18-2)7-5-11/h3-7,9H,1,8H2,2H3,(H,16,17)/b12-9-
InChIKeyYQEDALOAZHOAOB-XFXZXTDPSA-N
XLogP1.90
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 6521725
(E)-2-cyano-N-(2-methoxyethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 19174354
(Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 19183442
(Z)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 2427174
(E)-2-cyano-3-(3,4-dimethylphenyl)-N-prop-2-enylprop-2-enamide
CID 47241354
(E)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 31935276
2-cyano-3-[3-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]phenyl]-N-prop-2-enylprop-2-enamide
CID 5199561
(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-prop-2-enylprop-2-enamide
CID 24542435
(Z)-2-cyano-3-(4-methoxy-3-nitrophenyl)-N-prop-2-enylprop-2-enamide
CID 19183712
2-cyano-3-[4-(N-phenylanilino)phenyl]-N-prop-2-enylprop-2-enamide
CID 3427777
(E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 6034042
(E)-2-cyano-N-prop-2-enyl-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
CID 24542437

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4-methoxyphenyl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4-methoxyphenyl)-N-prop-2-enylprop-2-enamide (CID 2133142) is (Z)-2-cyano-3-(4-methoxyphenyl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4-methoxyphenyl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4-methoxyphenyl)-N-prop-2-enylprop-2-enamide is C=CCNC(=O)/C(C#N)=C\c1ccc(OC)cc1.
What is the InChIKey of (Z)-2-cyano-3-(4-methoxyphenyl)-N-prop-2-enylprop-2-enamide?
The InChIKey is YQEDALOAZHOAOB-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-8-16-14(17)12(10-15)9-11-4-6-13(18-2)7-5-11/h3-7,9H,1,8H2,2H3,(H,16,17)/b12-9-.
What are the key properties of (Z)-2-cyano-3-(4-methoxyphenyl)-N-prop-2-enylprop-2-enamide?
(Z)-2-cyano-3-(4-methoxyphenyl)-N-prop-2-enylprop-2-enamide has a molecular weight of 242.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(4-methoxyphenyl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 2133142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).