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

C8H17NO — CID 143998304

IUPACethane;1-(3-methylazetidin-1-yl)ethanone
SMILESCC.CC(=O)N1CC(C)C1
InChIInChI=1S/C6H11NO.C2H6/c1-5-3-7(4-5)6(2)8;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyWMBWRXAULVGNMI-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.51
Rot. Bonds

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

ethane;1-(3-methylazetidin-1-yl)ethanone (PubChem CID 143998304) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is ethane;1-(3-methylazetidin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(3-methylazetidin-1-yl)ethanone
PubChem CID143998304
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nameethane;1-(3-methylazetidin-1-yl)ethanone
SMILESCC.CC(=O)N1CC(C)C1
InChIInChI=1S/C6H11NO.C2H6/c1-5-3-7(4-5)6(2)8;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyWMBWRXAULVGNMI-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 176561282
ethane;1-(3-methylpiperidin-1-yl)ethanone
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1-(1-acetylazetidin-3-yl)ethanone;ethane
CID 144882455
ethene;1-(3-methylpyrrolidin-1-yl)ethanone
CID 177026606
ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone
CID 142926583
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
1-(3-fluoroazetidin-1-yl)ethanone
CID 89181336
1-(4,5-dimethylazepan-1-yl)ethanone
CID 139460502
1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone
CID 130768808
1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone
CID 90512375
1-(3,3,5,7-tetramethyl-1,5-diazocan-1-yl)ethanone
CID 142886834
1-(3-amino-4-methylpyrrolidin-1-yl)ethanone
CID 82594406

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methylazetidin-1-yl)ethanone?
The IUPAC name of ethane;1-(3-methylazetidin-1-yl)ethanone (CID 143998304) is ethane;1-(3-methylazetidin-1-yl)ethanone.
What is the SMILES notation for ethane;1-(3-methylazetidin-1-yl)ethanone?
The canonical SMILES for ethane;1-(3-methylazetidin-1-yl)ethanone is CC.CC(=O)N1CC(C)C1.
What is the InChIKey of ethane;1-(3-methylazetidin-1-yl)ethanone?
The InChIKey is WMBWRXAULVGNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c1-5-3-7(4-5)6(2)8;1-2/h5H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(3-methylazetidin-1-yl)ethanone?
ethane;1-(3-methylazetidin-1-yl)ethanone has a molecular weight of 143.23 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methylazetidin-1-yl)ethanone is sourced from PubChem (CID 143998304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).