1-propanoylazetidine-3-carboxamide

C7H12N2O2 — CID 54343538

IUPAC1-propanoylazetidine-3-carboxamide
SMILESCCC(=O)N1CC(C(N)=O)C1
InChIInChI=1S/C7H12N2O2/c1-2-6(10)9-3-5(4-9)7(8)11/h5H,2-4H2,1H3,(H2,8,11)
InChIKeyUAQOTRDTYUQUTK-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.66
Rot. Bonds2

About 1-propanoylazetidine-3-carboxamide

1-propanoylazetidine-3-carboxamide (PubChem CID 54343538) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-propanoylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-propanoylazetidine-3-carboxamide
PubChem CID54343538
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1-propanoylazetidine-3-carboxamide
SMILESCCC(=O)N1CC(C(N)=O)C1
InChIInChI=1S/C7H12N2O2/c1-2-6(10)9-3-5(4-9)7(8)11/h5H,2-4H2,1H3,(H2,8,11)
InChIKeyUAQOTRDTYUQUTK-UHFFFAOYSA-N
XLogP-0.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethylazetidine-3-carboxamide
CID 65963358
N-methylazetidine-3-carboxamide
CID 59597796
N,N-dimethylazetidine-3-carboxamide hydrochloride
CID 53308702
1-[3-(Aminomethyl)azetidin-1-yl]ethan-1-one
CID 64989017
1-Acetylazetidine-3-carboxamide
CID 71785350
3-(Aminomethyl)-1-ethyl-3-methylazetidin-2-one
CID 137964369
1-(2-Methylpropyl)azetidin-2-one
CID 20395482
N,N-dimethylazetidine-3-carboxamide
CID 53308703
3-(3-Fluoroazetidin-1-yl)-3-oxopropanamide
CID 127012580
N-methyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 65966632
1-acetyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 71785424
N-(2,2-difluoroethyl)-N-methylazetidine-3-carboxamide
CID 104436986

Frequently Asked Questions

What is the IUPAC name of 1-propanoylazetidine-3-carboxamide?
The IUPAC name of 1-propanoylazetidine-3-carboxamide (CID 54343538) is 1-propanoylazetidine-3-carboxamide.
What is the SMILES notation for 1-propanoylazetidine-3-carboxamide?
The canonical SMILES for 1-propanoylazetidine-3-carboxamide is CCC(=O)N1CC(C(N)=O)C1.
What is the InChIKey of 1-propanoylazetidine-3-carboxamide?
The InChIKey is UAQOTRDTYUQUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-6(10)9-3-5(4-9)7(8)11/h5H,2-4H2,1H3,(H2,8,11).
What are the key properties of 1-propanoylazetidine-3-carboxamide?
1-propanoylazetidine-3-carboxamide has a molecular weight of 156.18 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoylazetidine-3-carboxamide is sourced from PubChem (CID 54343538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).