2-(2-benzylcyclopropyl)-2-oxoacetamide

C12H13NO2 — CID 57160857

IUPAC2-(2-benzylcyclopropyl)-2-oxoacetamide
SMILESNC(=O)C(=O)C1CC1Cc1ccccc1
InChIInChI=1S/C12H13NO2/c13-12(15)11(14)10-7-9(10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,13,15)
InChIKeyYSPXXLXHQAZIQO-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.92
Rot. Bonds4

About 2-(2-benzylcyclopropyl)-2-oxoacetamide

2-(2-benzylcyclopropyl)-2-oxoacetamide (PubChem CID 57160857) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(2-benzylcyclopropyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-benzylcyclopropyl)-2-oxoacetamide
PubChem CID57160857
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(2-benzylcyclopropyl)-2-oxoacetamide
SMILESNC(=O)C(=O)C1CC1Cc1ccccc1
InChIInChI=1S/C12H13NO2/c13-12(15)11(14)10-7-9(10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,13,15)
InChIKeyYSPXXLXHQAZIQO-UHFFFAOYSA-N
XLogP0.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
CID 10487497
trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate
CID 71409329
trans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide
CID 899834
(1R,2S,4S,5S)-2-benzyl-4,5-dibromocyclohexane-1-carboxylic acid
CID 98246158
cis-(1R,2S)-2-benzylcyclohexane-1-carboxylic acid
CID 71363465
cis-(1R,2S)-2-[(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 99993212
1-(2-benzylcyclobutyl)-2-methylpropan-1-one
CID 123708606
trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid
CID 99939597
6-benzylcyclohex-3-ene-1-carboxylic acid
CID 2828518
(2-benzylcyclopropyl)methanamine
CID 56605942
(1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol
CID 166640244
(1S,4S)-2,5-dibenzylbicyclo[2.2.1]heptane
CID 101446934

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylcyclopropyl)-2-oxoacetamide?
The IUPAC name of 2-(2-benzylcyclopropyl)-2-oxoacetamide (CID 57160857) is 2-(2-benzylcyclopropyl)-2-oxoacetamide.
What is the SMILES notation for 2-(2-benzylcyclopropyl)-2-oxoacetamide?
The canonical SMILES for 2-(2-benzylcyclopropyl)-2-oxoacetamide is NC(=O)C(=O)C1CC1Cc1ccccc1.
What is the InChIKey of 2-(2-benzylcyclopropyl)-2-oxoacetamide?
The InChIKey is YSPXXLXHQAZIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c13-12(15)11(14)10-7-9(10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,13,15).
What are the key properties of 2-(2-benzylcyclopropyl)-2-oxoacetamide?
2-(2-benzylcyclopropyl)-2-oxoacetamide has a molecular weight of 203.24 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylcyclopropyl)-2-oxoacetamide is sourced from PubChem (CID 57160857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).