(E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide

C14H14N2O2 — CID 35746506

IUPAC(E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C(\C#N)C(=O)NC2CC2)c1
InChIInChI=1S/C14H14N2O2/c1-18-13-4-2-3-10(8-13)7-11(9-15)14(17)16-12-5-6-12/h2-4,7-8,12H,5-6H2,1H3,(H,16,17)/b11-7+
InChIKeyYRXLQVLCETVGGT-YRNVUSSQSA-N
MW242.28 g/mol
LogP1.88
Rot. Bonds4

About (E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide

(E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 35746506) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID35746506
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C(\C#N)C(=O)NC2CC2)c1
InChIInChI=1S/C14H14N2O2/c1-18-13-4-2-3-10(8-13)7-11(9-15)14(17)16-12-5-6-12/h2-4,7-8,12H,5-6H2,1H3,(H,16,17)/b11-7+
InChIKeyYRXLQVLCETVGGT-YRNVUSSQSA-N
XLogP1.88
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.88
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'}

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Related Compounds

(2R)-2-[3-[(Z)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]phenoxy]propanoic acid
CID 95592041
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
CID 67845599
3-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzoic acid
CID 57397719
(Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
CID 2057524
(E)-2-cyano-3-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 7911985
(E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 7480752
(E)-2-cyano-N-(3-iodophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 35559873
(E)-2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide
CID 8865669
2-cyano-N-cyclohexyl-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 4246307
(E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
CID 7801439
ethyl (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate
CID 5376699
(E)-3-(3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 35550966

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide (CID 35746506) is (E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(/C=C(\C#N)C(=O)NC2CC2)c1.
What is the InChIKey of (E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is YRXLQVLCETVGGT-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-13-4-2-3-10(8-13)7-11(9-15)14(17)16-12-5-6-12/h2-4,7-8,12H,5-6H2,1H3,(H,16,17)/b11-7+.
What are the key properties of (E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide?
(E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 242.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 35746506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).