1-(azetidin-2-yl)-4-methylpentan-2-one

C9H17NO — CID 105430403

IUPAC1-(azetidin-2-yl)-4-methylpentan-2-one
SMILESCC(C)CC(=O)CC1CCN1
InChIInChI=1S/C9H17NO/c1-7(2)5-9(11)6-8-3-4-10-8/h7-8,10H,3-6H2,1-2H3
InChIKeyVCTDBGQQPDLFDV-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.35
Rot. Bonds4

About 1-(azetidin-2-yl)-4-methylpentan-2-one

1-(azetidin-2-yl)-4-methylpentan-2-one (PubChem CID 105430403) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(azetidin-2-yl)-4-methylpentan-2-one.

Molecular Properties

Compound Name1-(azetidin-2-yl)-4-methylpentan-2-one
PubChem CID105430403
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(azetidin-2-yl)-4-methylpentan-2-one
SMILESCC(C)CC(=O)CC1CCN1
InChIInChI=1S/C9H17NO/c1-7(2)5-9(11)6-8-3-4-10-8/h7-8,10H,3-6H2,1-2H3
InChIKeyVCTDBGQQPDLFDV-UHFFFAOYSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(azetidin-2-yl)-4-methylpentan-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

3-Methyl-1-(pyrrolidin-2-YL)butan-2-one
CID 23588201
2,2,6,6-Tetramethyl-3-propylaminoheptane-5-one
CID 101076479
(2S)-2-propan-2-ylpiperidin-1-ium-4-one
CID 640177
2-Propan-2-ylpiperidin-1-ium-4-one
CID 22298279
2-Methyl-6-(2-methylpropyl)piperidin-4-one
CID 85764940
2-Methyl-8-(propan-2-ylamino)octan-3-one
CID 20736426
2-Methyl-7-(propan-2-ylamino)heptan-3-one
CID 21305197
2-Methyl-6-propan-2-ylpiperidin-4-one
CID 45095962
(4S)-2,6-dimethyl-4-[3-(propan-2-ylamino)propyl]heptan-3-one
CID 58143617
3-(Azetidin-3-yl)-1-cyclopropylpropan-1-one
CID 58222834
1-(Azetidin-3-yl)pentan-3-one
CID 58222835
2-Methyl-6-(propan-2-ylamino)heptan-3-one
CID 58709655

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-2-yl)-4-methylpentan-2-one?
The IUPAC name of 1-(azetidin-2-yl)-4-methylpentan-2-one (CID 105430403) is 1-(azetidin-2-yl)-4-methylpentan-2-one.
What is the SMILES notation for 1-(azetidin-2-yl)-4-methylpentan-2-one?
The canonical SMILES for 1-(azetidin-2-yl)-4-methylpentan-2-one is CC(C)CC(=O)CC1CCN1.
What is the InChIKey of 1-(azetidin-2-yl)-4-methylpentan-2-one?
The InChIKey is VCTDBGQQPDLFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)5-9(11)6-8-3-4-10-8/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-(azetidin-2-yl)-4-methylpentan-2-one?
1-(azetidin-2-yl)-4-methylpentan-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-2-yl)-4-methylpentan-2-one is sourced from PubChem (CID 105430403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).