(Z)-2-cyano-N-methyl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide

C14H12N2O2 — CID 47436222

IUPAC(Z)-2-cyano-N-methyl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
SMILESC#CCOc1ccc(/C=C(/C#N)C(=O)NC)cc1
InChIInChI=1S/C14H12N2O2/c1-3-8-18-13-6-4-11(5-7-13)9-12(10-15)14(17)16-2/h1,4-7,9H,8H2,2H3,(H,16,17)/b12-9-
InChIKeyYHKOXLBAZMMQHS-XFXZXTDPSA-N
MW240.26 g/mol
LogP1.35
Rot. Bonds4

About (Z)-2-cyano-N-methyl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide

(Z)-2-cyano-N-methyl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide (PubChem CID 47436222) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is (Z)-2-cyano-N-methyl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-methyl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
PubChem CID47436222
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name(Z)-2-cyano-N-methyl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
SMILESC#CCOc1ccc(/C=C(/C#N)C(=O)NC)cc1
InChIInChI=1S/C14H12N2O2/c1-3-8-18-13-6-4-11(5-7-13)9-12(10-15)14(17)16-2/h1,4-7,9H,8H2,2H3,(H,16,17)/b12-9-
InChIKeyYHKOXLBAZMMQHS-XFXZXTDPSA-N
XLogP1.35
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 48836654
(E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide
CID 29424540
(E)-2-cyano-N-(4-hydroxyphenyl)-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 6021141
(Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 19183442
(E)-N-(2-chlorophenyl)-2-cyano-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 99905060
(Z)-2-cyano-3-(4-prop-2-ynoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 48836700
2-methoxyethyl (Z)-2-cyano-3-(4-prop-2-ynoxyphenyl)prop-2-enoate
CID 48836600
2-methoxyethyl 2-cyano-3-(4-prop-2-ynoxyphenyl)prop-2-enoate
CID 78905914
(Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 60591928
ethyl 2-[[(E)-2-cyano-3-(4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 21382461
2-cyano-3-(4-prop-2-ynoxyphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 76871106
(Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 903040

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-methyl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-methyl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide (CID 47436222) is (Z)-2-cyano-N-methyl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-methyl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-methyl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide is C#CCOc1ccc(/C=C(/C#N)C(=O)NC)cc1.
What is the InChIKey of (Z)-2-cyano-N-methyl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide?
The InChIKey is YHKOXLBAZMMQHS-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-3-8-18-13-6-4-11(5-7-13)9-12(10-15)14(17)16-2/h1,4-7,9H,8H2,2H3,(H,16,17)/b12-9-.
What are the key properties of (Z)-2-cyano-N-methyl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide?
(Z)-2-cyano-N-methyl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide has a molecular weight of 240.26 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-methyl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide is sourced from PubChem (CID 47436222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).