1-(1-acetylazetidin-3-yl)ethanone;ethane

C9H17NO2 — CID 144882455

IUPAC1-(1-acetylazetidin-3-yl)ethanone;ethane
SMILESCC.CC(=O)C1CN(C(C)=O)C1
InChIInChI=1S/C7H11NO2.C2H6/c1-5(9)7-3-8(4-7)6(2)10;1-2/h7H,3-4H2,1-2H3;1-2H3
InChIKeyVBPYZGNVCWVMLJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds1

About 1-(1-acetylazetidin-3-yl)ethanone;ethane

1-(1-acetylazetidin-3-yl)ethanone;ethane (PubChem CID 144882455) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(1-acetylazetidin-3-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(1-acetylazetidin-3-yl)ethanone;ethane
PubChem CID144882455
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(1-acetylazetidin-3-yl)ethanone;ethane
SMILESCC.CC(=O)C1CN(C(C)=O)C1
InChIInChI=1S/C7H11NO2.C2H6/c1-5(9)7-3-8(4-7)6(2)10;1-2/h7H,3-4H2,1-2H3;1-2H3
InChIKeyVBPYZGNVCWVMLJ-UHFFFAOYSA-N
XLogP1.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-acetylazetidin-3-yl)ethanone;ethane 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

ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone
CID 90512375
1-(3-fluoroazetidin-1-yl)ethanone
CID 89181336
1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone
CID 156736539
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854
1-acetyl-5-aminopiperidine-3-carboxylic acid
CID 83989133
1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone
CID 163675775
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
CID 89259810
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
1-acetyl-N-prop-2-ynylazetidine-3-carboxamide
CID 130736602
1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine
CID 169177339

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylazetidin-3-yl)ethanone;ethane?
The IUPAC name of 1-(1-acetylazetidin-3-yl)ethanone;ethane (CID 144882455) is 1-(1-acetylazetidin-3-yl)ethanone;ethane.
What is the SMILES notation for 1-(1-acetylazetidin-3-yl)ethanone;ethane?
The canonical SMILES for 1-(1-acetylazetidin-3-yl)ethanone;ethane is CC.CC(=O)C1CN(C(C)=O)C1.
What is the InChIKey of 1-(1-acetylazetidin-3-yl)ethanone;ethane?
The InChIKey is VBPYZGNVCWVMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.C2H6/c1-5(9)7-3-8(4-7)6(2)10;1-2/h7H,3-4H2,1-2H3;1-2H3.
What are the key properties of 1-(1-acetylazetidin-3-yl)ethanone;ethane?
1-(1-acetylazetidin-3-yl)ethanone;ethane has a molecular weight of 171.24 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylazetidin-3-yl)ethanone;ethane is sourced from PubChem (CID 144882455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).