N-(azetidin-3-yl)propanamide

C6H12N2O — CID 66186982

IUPACN-(azetidin-3-yl)propanamide
SMILESCCC(=O)NC1CNC1
InChIInChI=1S/C6H12N2O/c1-2-6(9)8-5-3-7-4-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyZYCNHSWPSGGCGF-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.52
Rot. Bonds2

About N-(azetidin-3-yl)propanamide

N-(azetidin-3-yl)propanamide (PubChem CID 66186982) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is N-(azetidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)propanamide
PubChem CID66186982
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC NameN-(azetidin-3-yl)propanamide
SMILESCCC(=O)NC1CNC1
InChIInChI=1S/C6H12N2O/c1-2-6(9)8-5-3-7-4-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyZYCNHSWPSGGCGF-UHFFFAOYSA-N
XLogP-0.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)propanamide?
The IUPAC name of N-(azetidin-3-yl)propanamide (CID 66186982) is N-(azetidin-3-yl)propanamide.
What is the SMILES notation for N-(azetidin-3-yl)propanamide?
The canonical SMILES for N-(azetidin-3-yl)propanamide is CCC(=O)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)propanamide?
The InChIKey is ZYCNHSWPSGGCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-6(9)8-5-3-7-4-5/h5,7H,2-4H2,1H3,(H,8,9).
What are the key properties of N-(azetidin-3-yl)propanamide?
N-(azetidin-3-yl)propanamide has a molecular weight of 128.18 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)propanamide is sourced from PubChem (CID 66186982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).