N-[(1-acetylcyclopropyl)methyl]-3-oxobutanamide

C10H15NO3 — CID 170262163

IUPACN-[(1-acetylcyclopropyl)methyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCC1(C(C)=O)CC1
InChIInChI=1S/C10H15NO3/c1-7(12)5-9(14)11-6-10(3-4-10)8(2)13/h3-6H2,1-2H3,(H,11,14)
InChIKeyFSVZRZJNCNSKBC-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.45
Rot. Bonds5

About N-[(1-acetylcyclopropyl)methyl]-3-oxobutanamide

N-[(1-acetylcyclopropyl)methyl]-3-oxobutanamide (PubChem CID 170262163) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is N-[(1-acetylcyclopropyl)methyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[(1-acetylcyclopropyl)methyl]-3-oxobutanamide
PubChem CID170262163
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC NameN-[(1-acetylcyclopropyl)methyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCC1(C(C)=O)CC1
InChIInChI=1S/C10H15NO3/c1-7(12)5-9(14)11-6-10(3-4-10)8(2)13/h3-6H2,1-2H3,(H,11,14)
InChIKeyFSVZRZJNCNSKBC-UHFFFAOYSA-N
XLogP0.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1-acetylcyclopropyl)methyl]-3-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
ethyl 1-[[(3-ethoxy-3-oxopropanoyl)amino]methyl]cyclopropane-1-carboxylate
CID 69183026
1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450729
3-oxo-N-(3-oxobutyl)butanamide
CID 159841934
3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide
CID 110477352
1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450774
1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450682
N-(2-chloroethyl)-3-oxobutanamide
CID 3015258
N-(2-aminoethyl)-3-oxobutanamide
CID 3020471
N-(2-bromoethyl)-3-oxobutanamide
CID 21454933
1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449369

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylcyclopropyl)methyl]-3-oxobutanamide?
The IUPAC name of N-[(1-acetylcyclopropyl)methyl]-3-oxobutanamide (CID 170262163) is N-[(1-acetylcyclopropyl)methyl]-3-oxobutanamide.
What is the SMILES notation for N-[(1-acetylcyclopropyl)methyl]-3-oxobutanamide?
The canonical SMILES for N-[(1-acetylcyclopropyl)methyl]-3-oxobutanamide is CC(=O)CC(=O)NCC1(C(C)=O)CC1.
What is the InChIKey of N-[(1-acetylcyclopropyl)methyl]-3-oxobutanamide?
The InChIKey is FSVZRZJNCNSKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(12)5-9(14)11-6-10(3-4-10)8(2)13/h3-6H2,1-2H3,(H,11,14).
What are the key properties of N-[(1-acetylcyclopropyl)methyl]-3-oxobutanamide?
N-[(1-acetylcyclopropyl)methyl]-3-oxobutanamide has a molecular weight of 197.23 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylcyclopropyl)methyl]-3-oxobutanamide is sourced from PubChem (CID 170262163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).