1-[1-(cyclohexanecarbonyl)azetidin-3-yl]ethanone

C12H19NO2 — CID 70904803

IUPAC1-[1-(cyclohexanecarbonyl)azetidin-3-yl]ethanone
SMILESCC(=O)C1CN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C12H19NO2/c1-9(14)11-7-13(8-11)12(15)10-5-3-2-4-6-10/h10-11H,2-8H2,1H3
InChIKeyDCEQRXHVWPHIEG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.61
Rot. Bonds2

About 1-[1-(cyclohexanecarbonyl)azetidin-3-yl]ethanone

1-[1-(cyclohexanecarbonyl)azetidin-3-yl]ethanone (PubChem CID 70904803) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[1-(cyclohexanecarbonyl)azetidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclohexanecarbonyl)azetidin-3-yl]ethanone
PubChem CID70904803
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[1-(cyclohexanecarbonyl)azetidin-3-yl]ethanone
SMILESCC(=O)C1CN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C12H19NO2/c1-9(14)11-7-13(8-11)12(15)10-5-3-2-4-6-10/h10-11H,2-8H2,1H3
InChIKeyDCEQRXHVWPHIEG-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexanecarbonyl)azetidin-3-yl]ethanone?
The IUPAC name of 1-[1-(cyclohexanecarbonyl)azetidin-3-yl]ethanone (CID 70904803) is 1-[1-(cyclohexanecarbonyl)azetidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclohexanecarbonyl)azetidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(cyclohexanecarbonyl)azetidin-3-yl]ethanone is CC(=O)C1CN(C(=O)C2CCCCC2)C1.
What is the InChIKey of 1-[1-(cyclohexanecarbonyl)azetidin-3-yl]ethanone?
The InChIKey is DCEQRXHVWPHIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(14)11-7-13(8-11)12(15)10-5-3-2-4-6-10/h10-11H,2-8H2,1H3.
What are the key properties of 1-[1-(cyclohexanecarbonyl)azetidin-3-yl]ethanone?
1-[1-(cyclohexanecarbonyl)azetidin-3-yl]ethanone has a molecular weight of 209.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexanecarbonyl)azetidin-3-yl]ethanone is sourced from PubChem (CID 70904803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).