1-(3-amino-4-pyridinyl)azetidin-2-one

C8H9N3O — CID 107342126

IUPAC1-(3-amino-4-pyridinyl)azetidin-2-one
SMILESNc1cnccc1N1CCC1=O
InChIInChI=1S/C8H9N3O/c9-6-5-10-3-1-7(6)11-4-2-8(11)12/h1,3,5H,2,4,9H2
InChIKeyGXXJFFBFCPSNOL-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.40
Rot. Bonds1

About 1-(3-amino-4-pyridinyl)azetidin-2-one

1-(3-amino-4-pyridinyl)azetidin-2-one (PubChem CID 107342126) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-(3-amino-4-pyridinyl)azetidin-2-one.

Molecular Properties

Compound Name1-(3-amino-4-pyridinyl)azetidin-2-one
PubChem CID107342126
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name1-(3-amino-4-pyridinyl)azetidin-2-one
SMILESNc1cnccc1N1CCC1=O
InChIInChI=1S/C8H9N3O/c9-6-5-10-3-1-7(6)11-4-2-8(11)12/h1,3,5H,2,4,9H2
InChIKeyGXXJFFBFCPSNOL-UHFFFAOYSA-N
XLogP0.40
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-pyridinyl)azetidin-2-one?
The IUPAC name of 1-(3-amino-4-pyridinyl)azetidin-2-one (CID 107342126) is 1-(3-amino-4-pyridinyl)azetidin-2-one.
What is the SMILES notation for 1-(3-amino-4-pyridinyl)azetidin-2-one?
The canonical SMILES for 1-(3-amino-4-pyridinyl)azetidin-2-one is Nc1cnccc1N1CCC1=O.
What is the InChIKey of 1-(3-amino-4-pyridinyl)azetidin-2-one?
The InChIKey is GXXJFFBFCPSNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-6-5-10-3-1-7(6)11-4-2-8(11)12/h1,3,5H,2,4,9H2.
What are the key properties of 1-(3-amino-4-pyridinyl)azetidin-2-one?
1-(3-amino-4-pyridinyl)azetidin-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-pyridinyl)azetidin-2-one is sourced from PubChem (CID 107342126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).