1,3-di(propan-2-yl)azetidin-2-one

C9H17NO — CID 166023384

IUPAC1,3-di(propan-2-yl)azetidin-2-one
SMILESCC(C)C1CN(C(C)C)C1=O
InChIInChI=1S/C9H17NO/c1-6(2)8-5-10(7(3)4)9(8)11/h6-8H,5H2,1-4H3
InChIKeyJTFNESUKMDKVOU-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.51
Rot. Bonds2

About 1,3-di(propan-2-yl)azetidin-2-one

1,3-di(propan-2-yl)azetidin-2-one (PubChem CID 166023384) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)azetidin-2-one.

Molecular Properties

Compound Name1,3-di(propan-2-yl)azetidin-2-one
PubChem CID166023384
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1,3-di(propan-2-yl)azetidin-2-one
SMILESCC(C)C1CN(C(C)C)C1=O
InChIInChI=1S/C9H17NO/c1-6(2)8-5-10(7(3)4)9(8)11/h6-8H,5H2,1-4H3
InChIKeyJTFNESUKMDKVOU-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-di(propan-2-yl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-di(propan-2-yl)pyrrolidin-2-one;methane
CID 158114726
1,3,4-tri(propan-2-yl)pyrrolidin-2-one
CID 58977323
3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one
CID 67806097
3-fluoro-1-propan-2-ylpyrrolidin-2-one
CID 45088052
1,4-di(propan-2-yl)piperidin-2-one
CID 59815013
(3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 96680803
(3S)-3-ethynyl-1-propan-2-ylpyrrolidin-2-one
CID 175616030
3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one
CID 165157963
3-(4-methylpentan-2-ylamino)-1-propan-2-ylpyrrolidin-2-one
CID 115760869
(3S)-3-methyl-1-propan-2-ylpiperidin-2-one
CID 129101270
(4R)-4-methyl-1-propan-2-ylpiperidin-2-one
CID 146189897
3-methyl-1,4-di(propan-2-yl)imidazolidin-2-one
CID 116983109

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)azetidin-2-one?
The IUPAC name of 1,3-di(propan-2-yl)azetidin-2-one (CID 166023384) is 1,3-di(propan-2-yl)azetidin-2-one.
What is the SMILES notation for 1,3-di(propan-2-yl)azetidin-2-one?
The canonical SMILES for 1,3-di(propan-2-yl)azetidin-2-one is CC(C)C1CN(C(C)C)C1=O.
What is the InChIKey of 1,3-di(propan-2-yl)azetidin-2-one?
The InChIKey is JTFNESUKMDKVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6(2)8-5-10(7(3)4)9(8)11/h6-8H,5H2,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)azetidin-2-one?
1,3-di(propan-2-yl)azetidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)azetidin-2-one is sourced from PubChem (CID 166023384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).