1-(2-propan-2-ylazetidin-1-yl)ethanone

C8H15NO — CID 131133539

IUPAC1-(2-propan-2-ylazetidin-1-yl)ethanone
SMILESCC(=O)N1CCC1C(C)C
InChIInChI=1S/C8H15NO/c1-6(2)8-4-5-9(8)7(3)10/h6,8H,4-5H2,1-3H3
InChIKeyBWMRUBYDZHQYPY-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.26
Rot. Bonds1

About 1-(2-propan-2-ylazetidin-1-yl)ethanone

1-(2-propan-2-ylazetidin-1-yl)ethanone (PubChem CID 131133539) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(2-propan-2-ylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-propan-2-ylazetidin-1-yl)ethanone
PubChem CID131133539
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(2-propan-2-ylazetidin-1-yl)ethanone
SMILESCC(=O)N1CCC1C(C)C
InChIInChI=1S/C8H15NO/c1-6(2)8-4-5-9(8)7(3)10/h6,8H,4-5H2,1-3H3
InChIKeyBWMRUBYDZHQYPY-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-propan-2-ylpiperazin-1-yl)ethanone
CID 82240899
N,N-dimethyl-2-propan-2-ylpyrrolidine-1-carboxamide
CID 115593303
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
1-[2-(4-methyl-5-propan-2-ylmorpholin-3-yl)-4-propan-2-ylpiperidin-1-yl]ethanone
CID 135214073
1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone
CID 102032429
1-[4-(1-bromoethyl)piperidin-1-yl]ethanone
CID 106839275
1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone
CID 82241179
ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one
CID 142558252
2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 130562121
3-amino-1-[(2R,5R)-5-methyl-2-propan-2-ylazepan-1-yl]propan-1-one
CID 99849531
1-[(2R)-2-(1-bromo-2-hydroxyprop-2-enyl)pyrrolidin-1-yl]ethanone
CID 163737120
(2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 79014107

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylazetidin-1-yl)ethanone?
The IUPAC name of 1-(2-propan-2-ylazetidin-1-yl)ethanone (CID 131133539) is 1-(2-propan-2-ylazetidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-propan-2-ylazetidin-1-yl)ethanone?
The canonical SMILES for 1-(2-propan-2-ylazetidin-1-yl)ethanone is CC(=O)N1CCC1C(C)C.
What is the InChIKey of 1-(2-propan-2-ylazetidin-1-yl)ethanone?
The InChIKey is BWMRUBYDZHQYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)8-4-5-9(8)7(3)10/h6,8H,4-5H2,1-3H3.
What are the key properties of 1-(2-propan-2-ylazetidin-1-yl)ethanone?
1-(2-propan-2-ylazetidin-1-yl)ethanone has a molecular weight of 141.21 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylazetidin-1-yl)ethanone is sourced from PubChem (CID 131133539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).