1-(aminomethyl)azetidin-2-one

C4H8N2O — CID 70516989

IUPAC1-(aminomethyl)azetidin-2-one
SMILESNCN1CCC1=O
InChIInChI=1S/C4H8N2O/c5-3-6-2-1-4(6)7/h1-3,5H2
InChIKeyFZRORVLIGOVXCI-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.87
Rot. Bonds1

About 1-(aminomethyl)azetidin-2-one

1-(aminomethyl)azetidin-2-one (PubChem CID 70516989) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 1-(aminomethyl)azetidin-2-one.

Molecular Properties

Compound Name1-(aminomethyl)azetidin-2-one
PubChem CID70516989
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name1-(aminomethyl)azetidin-2-one
SMILESNCN1CCC1=O
InChIInChI=1S/C4H8N2O/c5-3-6-2-1-4(6)7/h1-3,5H2
InChIKeyFZRORVLIGOVXCI-UHFFFAOYSA-N
XLogP-0.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)azetidin-2-one?
The IUPAC name of 1-(aminomethyl)azetidin-2-one (CID 70516989) is 1-(aminomethyl)azetidin-2-one.
What is the SMILES notation for 1-(aminomethyl)azetidin-2-one?
The canonical SMILES for 1-(aminomethyl)azetidin-2-one is NCN1CCC1=O.
What is the InChIKey of 1-(aminomethyl)azetidin-2-one?
The InChIKey is FZRORVLIGOVXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c5-3-6-2-1-4(6)7/h1-3,5H2.
What are the key properties of 1-(aminomethyl)azetidin-2-one?
1-(aminomethyl)azetidin-2-one has a molecular weight of 100.12 g/mol, XLogP of -0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)azetidin-2-one is sourced from PubChem (CID 70516989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).