N-phenyl-N-prop-2-enylcyclopropanecarboxamide

C13H15NO — CID 78836355

IUPACN-phenyl-N-prop-2-enylcyclopropanecarboxamide
SMILESC=CCN(C(=O)C1CC1)c1ccccc1
InChIInChI=1S/C13H15NO/c1-2-10-14(13(15)11-8-9-11)12-6-4-3-5-7-12/h2-7,11H,1,8-10H2
InChIKeyGSHFDJJEZGMDLL-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.62
Rot. Bonds4

About N-phenyl-N-prop-2-enylcyclopropanecarboxamide

N-phenyl-N-prop-2-enylcyclopropanecarboxamide (PubChem CID 78836355) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is N-phenyl-N-prop-2-enylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-phenyl-N-prop-2-enylcyclopropanecarboxamide
PubChem CID78836355
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC NameN-phenyl-N-prop-2-enylcyclopropanecarboxamide
SMILESC=CCN(C(=O)C1CC1)c1ccccc1
InChIInChI=1S/C13H15NO/c1-2-10-14(13(15)11-8-9-11)12-6-4-3-5-7-12/h2-7,11H,1,8-10H2
InChIKeyGSHFDJJEZGMDLL-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
CID 55551266
N-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 30822093
4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784653
2,2,2-trichloro-N-phenyl-N-prop-2-enylacetamide
CID 10901943
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
1-[2-nitro-4-(trifluoromethyl)phenyl]-N-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 52564379
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
N-(cyanomethyl)-N-phenylcyclohexanecarboxamide
CID 82130138
2-chloro-N-phenyl-N-prop-2-enylpropanamide
CID 14417035
3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid
CID 61159722
N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline
CID 142821122
N-[2-(dimethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 119867193

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-prop-2-enylcyclopropanecarboxamide?
The IUPAC name of N-phenyl-N-prop-2-enylcyclopropanecarboxamide (CID 78836355) is N-phenyl-N-prop-2-enylcyclopropanecarboxamide.
What is the SMILES notation for N-phenyl-N-prop-2-enylcyclopropanecarboxamide?
The canonical SMILES for N-phenyl-N-prop-2-enylcyclopropanecarboxamide is C=CCN(C(=O)C1CC1)c1ccccc1.
What is the InChIKey of N-phenyl-N-prop-2-enylcyclopropanecarboxamide?
The InChIKey is GSHFDJJEZGMDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-10-14(13(15)11-8-9-11)12-6-4-3-5-7-12/h2-7,11H,1,8-10H2.
What are the key properties of N-phenyl-N-prop-2-enylcyclopropanecarboxamide?
N-phenyl-N-prop-2-enylcyclopropanecarboxamide has a molecular weight of 201.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-prop-2-enylcyclopropanecarboxamide is sourced from PubChem (CID 78836355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).