(E)-2-cyano-N-cyclopropyl-3-phenylprop-2-enamide

C13H12N2O — CID 2424857

IUPAC(E)-2-cyano-N-cyclopropyl-3-phenylprop-2-enamide
SMILESN#C/C(=C\c1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C13H12N2O/c14-9-11(13(16)15-12-6-7-12)8-10-4-2-1-3-5-10/h1-5,8,12H,6-7H2,(H,15,16)/b11-8+
InChIKeyKSHDAYYEBNUTFU-DHZHZOJOSA-N
MW212.25 g/mol
LogP1.87
Rot. Bonds3

About (E)-2-cyano-N-cyclopropyl-3-phenylprop-2-enamide

(E)-2-cyano-N-cyclopropyl-3-phenylprop-2-enamide (PubChem CID 2424857) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is (E)-2-cyano-N-cyclopropyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cyclopropyl-3-phenylprop-2-enamide
PubChem CID2424857
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name(E)-2-cyano-N-cyclopropyl-3-phenylprop-2-enamide
SMILESN#C/C(=C\c1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C13H12N2O/c14-9-11(13(16)15-12-6-7-12)8-10-4-2-1-3-5-10/h1-5,8,12H,6-7H2,(H,15,16)/b11-8+
InChIKeyKSHDAYYEBNUTFU-DHZHZOJOSA-N
XLogP1.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.87
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

1,2-Dihydro-6-methyl-2-oxo-5-phenyl-3-pyridinecarbonitrile
CID 20231
Cinflumide
CID 6434871
2-Hydroxy-5-phenyl-nicotinonitrile
CID 297061
N-benzyl-2-cyanoacetamide
CID 668298
3-(4-tert-butylphenyl)-2-cyano-N-cyclopropylacrylamide
CID 5790752
2-cyano-N-(3-phenylpropyl)acetamide
CID 4295697
Cinnamamide, N-allyl-, (E)-
CID 5371820
Cinnamamide, N-allyl-alpha-methyl-
CID 6435635
2-Cyano-N-(2-phenylethyl)acetamide
CID 261414
N-cyclopropyl-3-(4-isobutylphenyl)acrylamide
CID 1224012
(2E)-2-cyano-3-(4-fluorophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 2133102
2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide
CID 2424258

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-cyclopropyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cyclopropyl-3-phenylprop-2-enamide (CID 2424857) is (E)-2-cyano-N-cyclopropyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cyclopropyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cyclopropyl-3-phenylprop-2-enamide is N#C/C(=C\c1ccccc1)C(=O)NC1CC1.
What is the InChIKey of (E)-2-cyano-N-cyclopropyl-3-phenylprop-2-enamide?
The InChIKey is KSHDAYYEBNUTFU-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H12N2O/c14-9-11(13(16)15-12-6-7-12)8-10-4-2-1-3-5-10/h1-5,8,12H,6-7H2,(H,15,16)/b11-8+.
What are the key properties of (E)-2-cyano-N-cyclopropyl-3-phenylprop-2-enamide?
(E)-2-cyano-N-cyclopropyl-3-phenylprop-2-enamide has a molecular weight of 212.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-cyclopropyl-3-phenylprop-2-enamide is sourced from PubChem (CID 2424857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).