N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide

C12H20N2O2 — CID 60975912

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C12H20N2O2/c1-9(15)6-12(16)13-7-10-4-5-14(8-10)11-2-3-11/h10-11H,2-8H2,1H3,(H,13,16)
InChIKeyFVGLFCFLRWCUIK-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.57
Rot. Bonds5

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide (PubChem CID 60975912) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide
PubChem CID60975912
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C12H20N2O2/c1-9(15)6-12(16)13-7-10-4-5-14(8-10)11-2-3-11/h10-11H,2-8H2,1H3,(H,13,16)
InChIKeyFVGLFCFLRWCUIK-UHFFFAOYSA-N
XLogP0.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885
2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 60809819
6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid
CID 60856961
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide
CID 60859292
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 112686924
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 54927021
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide
CID 125446366
2-[1-(aminomethyl)cyclohexyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 104677736
4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60856813
(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide
CID 79013040
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119854841
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-methoxyacetamide;formic acid
CID 154907735

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide (CID 60975912) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide is CC(=O)CC(=O)NCC1CCN(C2CC2)C1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide?
The InChIKey is FVGLFCFLRWCUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(15)6-12(16)13-7-10-4-5-14(8-10)11-2-3-11/h10-11H,2-8H2,1H3,(H,13,16).
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide has a molecular weight of 224.30 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide is sourced from PubChem (CID 60975912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).