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

C8H15NO — CID 12619497

IUPAC1-(1-propan-2-ylazetidin-2-yl)ethanone
SMILESCC(=O)C1CCN1C(C)C
InChIInChI=1S/C8H15NO/c1-6(2)9-5-4-8(9)7(3)10/h6,8H,4-5H2,1-3H3
InChIKeyLUMKNHBMHQAKJB-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.06
Rot. Bonds2

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

1-(1-propan-2-ylazetidin-2-yl)ethanone (PubChem CID 12619497) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(1-propan-2-ylazetidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-propan-2-ylazetidin-2-yl)ethanone
PubChem CID12619497
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(1-propan-2-ylazetidin-2-yl)ethanone
SMILESCC(=O)C1CCN1C(C)C
InChIInChI=1S/C8H15NO/c1-6(2)9-5-4-8(9)7(3)10/h6,8H,4-5H2,1-3H3
InChIKeyLUMKNHBMHQAKJB-UHFFFAOYSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylazetidin-2-yl)ethanone?
The IUPAC name of 1-(1-propan-2-ylazetidin-2-yl)ethanone (CID 12619497) is 1-(1-propan-2-ylazetidin-2-yl)ethanone.
What is the SMILES notation for 1-(1-propan-2-ylazetidin-2-yl)ethanone?
The canonical SMILES for 1-(1-propan-2-ylazetidin-2-yl)ethanone is CC(=O)C1CCN1C(C)C.
What is the InChIKey of 1-(1-propan-2-ylazetidin-2-yl)ethanone?
The InChIKey is LUMKNHBMHQAKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)9-5-4-8(9)7(3)10/h6,8H,4-5H2,1-3H3.
What are the key properties of 1-(1-propan-2-ylazetidin-2-yl)ethanone?
1-(1-propan-2-ylazetidin-2-yl)ethanone has a molecular weight of 141.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylazetidin-2-yl)ethanone is sourced from PubChem (CID 12619497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).