1-(3-cyclopropyl-5-methyl-2-pyridinyl)azetidin-3-one

C12H14N2O — CID 134591507

IUPAC1-(3-cyclopropyl-5-methyl-2-pyridinyl)azetidin-3-one
SMILESCc1cnc(N2CC(=O)C2)c(C2CC2)c1
InChIInChI=1S/C12H14N2O/c1-8-4-11(9-2-3-9)12(13-5-8)14-6-10(15)7-14/h4-5,9H,2-3,6-7H2,1H3
InChIKeyWIFMDAPJTDLFRV-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.66
Rot. Bonds2

About 1-(3-cyclopropyl-5-methyl-2-pyridinyl)azetidin-3-one

1-(3-cyclopropyl-5-methyl-2-pyridinyl)azetidin-3-one (PubChem CID 134591507) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(3-cyclopropyl-5-methyl-2-pyridinyl)azetidin-3-one.

Molecular Properties

Compound Name1-(3-cyclopropyl-5-methyl-2-pyridinyl)azetidin-3-one
PubChem CID134591507
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(3-cyclopropyl-5-methyl-2-pyridinyl)azetidin-3-one
SMILESCc1cnc(N2CC(=O)C2)c(C2CC2)c1
InChIInChI=1S/C12H14N2O/c1-8-4-11(9-2-3-9)12(13-5-8)14-6-10(15)7-14/h4-5,9H,2-3,6-7H2,1H3
InChIKeyWIFMDAPJTDLFRV-UHFFFAOYSA-N
XLogP1.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-5-methyl-2-pyridinyl)azetidin-3-one?
The IUPAC name of 1-(3-cyclopropyl-5-methyl-2-pyridinyl)azetidin-3-one (CID 134591507) is 1-(3-cyclopropyl-5-methyl-2-pyridinyl)azetidin-3-one.
What is the SMILES notation for 1-(3-cyclopropyl-5-methyl-2-pyridinyl)azetidin-3-one?
The canonical SMILES for 1-(3-cyclopropyl-5-methyl-2-pyridinyl)azetidin-3-one is Cc1cnc(N2CC(=O)C2)c(C2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyl-5-methyl-2-pyridinyl)azetidin-3-one?
The InChIKey is WIFMDAPJTDLFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-4-11(9-2-3-9)12(13-5-8)14-6-10(15)7-14/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 1-(3-cyclopropyl-5-methyl-2-pyridinyl)azetidin-3-one?
1-(3-cyclopropyl-5-methyl-2-pyridinyl)azetidin-3-one has a molecular weight of 202.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-5-methyl-2-pyridinyl)azetidin-3-one is sourced from PubChem (CID 134591507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).