N-(1-methylazetidin-3-yl)-3-oxobutanamide

C8H14N2O2 — CID 131140470

IUPACN-(1-methylazetidin-3-yl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NC1CN(C)C1
InChIInChI=1S/C8H14N2O2/c1-6(11)3-8(12)9-7-4-10(2)5-7/h7H,3-5H2,1-2H3,(H,9,12)
InChIKeyOYQOHWQEPNJFDW-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.60
Rot. Bonds3

About N-(1-methylazetidin-3-yl)-3-oxobutanamide

N-(1-methylazetidin-3-yl)-3-oxobutanamide (PubChem CID 131140470) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-(1-methylazetidin-3-yl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(1-methylazetidin-3-yl)-3-oxobutanamide
PubChem CID131140470
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-(1-methylazetidin-3-yl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NC1CN(C)C1
InChIInChI=1S/C8H14N2O2/c1-6(11)3-8(12)9-7-4-10(2)5-7/h7H,3-5H2,1-2H3,(H,9,12)
InChIKeyOYQOHWQEPNJFDW-UHFFFAOYSA-N
XLogP-0.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.60
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

2-methoxy-N-(1-methylazetidin-3-yl)acetamide
CID 23557883
N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide
CID 169229027
methyl 3-[(1-methylpyrrolidin-3-yl)amino]-3-oxopropanoate
CID 115174182
N-(1-methylpyrrolidin-3-yl)butanamide
CID 18723360
1-(1-methylazetidin-3-yl)-3-(2-methylbutan-2-yl)urea
CID 130847964
(2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide
CID 131043190
propan-2-yl N-(1-methylazetidin-3-yl)carbamate
CID 131006466
1-(1-methylazetidin-3-yl)propan-2-one
CID 83904810
N-(1-methylazetidin-3-yl)-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 162613297
2-methoxy-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 90442595
3-amino-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465444
2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide
CID 61465317

Frequently Asked Questions

What is the IUPAC name of N-(1-methylazetidin-3-yl)-3-oxobutanamide?
The IUPAC name of N-(1-methylazetidin-3-yl)-3-oxobutanamide (CID 131140470) is N-(1-methylazetidin-3-yl)-3-oxobutanamide.
What is the SMILES notation for N-(1-methylazetidin-3-yl)-3-oxobutanamide?
The canonical SMILES for N-(1-methylazetidin-3-yl)-3-oxobutanamide is CC(=O)CC(=O)NC1CN(C)C1.
What is the InChIKey of N-(1-methylazetidin-3-yl)-3-oxobutanamide?
The InChIKey is OYQOHWQEPNJFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(11)3-8(12)9-7-4-10(2)5-7/h7H,3-5H2,1-2H3,(H,9,12).
What are the key properties of N-(1-methylazetidin-3-yl)-3-oxobutanamide?
N-(1-methylazetidin-3-yl)-3-oxobutanamide has a molecular weight of 170.21 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylazetidin-3-yl)-3-oxobutanamide is sourced from PubChem (CID 131140470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).