1-[3-(2-methylpropyl)azetidin-1-yl]ethanone

C9H17NO — CID 130318512

IUPAC1-[3-(2-methylpropyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(CC(C)C)C1
InChIInChI=1S/C9H17NO/c1-7(2)4-9-5-10(6-9)8(3)11/h7,9H,4-6H2,1-3H3
InChIKeyWTQZOJZZGKKNJP-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.51
Rot. Bonds2

About 1-[3-(2-methylpropyl)azetidin-1-yl]ethanone

1-[3-(2-methylpropyl)azetidin-1-yl]ethanone (PubChem CID 130318512) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)azetidin-1-yl]ethanone
PubChem CID130318512
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[3-(2-methylpropyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(CC(C)C)C1
InChIInChI=1S/C9H17NO/c1-7(2)4-9-5-10(6-9)8(3)11/h7,9H,4-6H2,1-3H3
InChIKeyWTQZOJZZGKKNJP-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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-(2-methylpropyl)azetidin-1-yl]ethanone (CID 130318512) is 1-[3-(2-methylpropyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2-methylpropyl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(2-methylpropyl)azetidin-1-yl]ethanone is CC(=O)N1CC(CC(C)C)C1.
What is the InChIKey of 1-[3-(2-methylpropyl)azetidin-1-yl]ethanone?
The InChIKey is WTQZOJZZGKKNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)4-9-5-10(6-9)8(3)11/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-[3-(2-methylpropyl)azetidin-1-yl]ethanone?
1-[3-(2-methylpropyl)azetidin-1-yl]ethanone 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-(2-methylpropyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 130318512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).