3,3-dimethyl-4-pyridin-4-ylazetidin-2-one

C10H12N2O — CID 54020303

IUPAC3,3-dimethyl-4-pyridin-4-ylazetidin-2-one
SMILESCC1(C)C(=O)NC1c1ccncc1
InChIInChI=1S/C10H12N2O/c1-10(2)8(12-9(10)13)7-3-5-11-6-4-7/h3-6,8H,1-2H3,(H,12,13)
InChIKeyKYLMCPQKMNYJGT-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.28
Rot. Bonds1

About 3,3-dimethyl-4-pyridin-4-ylazetidin-2-one

3,3-dimethyl-4-pyridin-4-ylazetidin-2-one (PubChem CID 54020303) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3,3-dimethyl-4-pyridin-4-ylazetidin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-pyridin-4-ylazetidin-2-one
PubChem CID54020303
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3,3-dimethyl-4-pyridin-4-ylazetidin-2-one
SMILESCC1(C)C(=O)NC1c1ccncc1
InChIInChI=1S/C10H12N2O/c1-10(2)8(12-9(10)13)7-3-5-11-6-4-7/h3-6,8H,1-2H3,(H,12,13)
InChIKeyKYLMCPQKMNYJGT-UHFFFAOYSA-N
XLogP1.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-pyridin-4-ylazetidin-2-one?
The IUPAC name of 3,3-dimethyl-4-pyridin-4-ylazetidin-2-one (CID 54020303) is 3,3-dimethyl-4-pyridin-4-ylazetidin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-pyridin-4-ylazetidin-2-one?
The canonical SMILES for 3,3-dimethyl-4-pyridin-4-ylazetidin-2-one is CC1(C)C(=O)NC1c1ccncc1.
What is the InChIKey of 3,3-dimethyl-4-pyridin-4-ylazetidin-2-one?
The InChIKey is KYLMCPQKMNYJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-10(2)8(12-9(10)13)7-3-5-11-6-4-7/h3-6,8H,1-2H3,(H,12,13).
What are the key properties of 3,3-dimethyl-4-pyridin-4-ylazetidin-2-one?
3,3-dimethyl-4-pyridin-4-ylazetidin-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-pyridin-4-ylazetidin-2-one is sourced from PubChem (CID 54020303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).