1-acetyl-N-(2-phenylethenyl)cyclopropane-1-carboxamide

C14H15NO2 — CID 174272158

IUPAC1-acetyl-N-(2-phenylethenyl)cyclopropane-1-carboxamide
SMILESCC(=O)C1(C(=O)NC=Cc2ccccc2)CC1
InChIInChI=1S/C14H15NO2/c1-11(16)14(8-9-14)13(17)15-10-7-12-5-3-2-4-6-12/h2-7,10H,8-9H2,1H3,(H,15,17)
InChIKeyRLKJHNWUCUMZAX-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.14
Rot. Bonds4

About 1-acetyl-N-(2-phenylethenyl)cyclopropane-1-carboxamide

1-acetyl-N-(2-phenylethenyl)cyclopropane-1-carboxamide (PubChem CID 174272158) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-acetyl-N-(2-phenylethenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-phenylethenyl)cyclopropane-1-carboxamide
PubChem CID174272158
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-acetyl-N-(2-phenylethenyl)cyclopropane-1-carboxamide
SMILESCC(=O)C1(C(=O)NC=Cc2ccccc2)CC1
InChIInChI=1S/C14H15NO2/c1-11(16)14(8-9-14)13(17)15-10-7-12-5-3-2-4-6-12/h2-7,10H,8-9H2,1H3,(H,15,17)
InChIKeyRLKJHNWUCUMZAX-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethenyl)acetamide
CID 54032077
2-phenylethenylcarbamic acid
CID 151881054
2-(2-phenylethenylamino)prop-2-enoic acid
CID 57353567
acetic acid;stilbene
CID 172803728
N-(2-phenylethenylcarbamoyl)formamide
CID 174605369
2-fluoro-N-(2-phenylethenyl)acetamide
CID 174418037
1-[(3E,4E)-1-acetyl-3,4-dibenzylidenecyclopentyl]ethanone
CID 71770734
1-[(E)-2-phenylethenyl]-3-propylurea
CID 108903089
2-methoxy-N-(2-phenylethenyl)acetamide
CID 174718522
1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
CID 108903141
N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide
CID 108903270
N-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carboxamide
CID 122230000

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-phenylethenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-acetyl-N-(2-phenylethenyl)cyclopropane-1-carboxamide (CID 174272158) is 1-acetyl-N-(2-phenylethenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-phenylethenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-phenylethenyl)cyclopropane-1-carboxamide is CC(=O)C1(C(=O)NC=Cc2ccccc2)CC1.
What is the InChIKey of 1-acetyl-N-(2-phenylethenyl)cyclopropane-1-carboxamide?
The InChIKey is RLKJHNWUCUMZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-11(16)14(8-9-14)13(17)15-10-7-12-5-3-2-4-6-12/h2-7,10H,8-9H2,1H3,(H,15,17).
What are the key properties of 1-acetyl-N-(2-phenylethenyl)cyclopropane-1-carboxamide?
1-acetyl-N-(2-phenylethenyl)cyclopropane-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-phenylethenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 174272158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).