4-(3-ethoxy-3-methylazetidin-1-yl)cyclohexan-1-one

C12H21NO2 — CID 130826077

IUPAC4-(3-ethoxy-3-methylazetidin-1-yl)cyclohexan-1-one
SMILESCCOC1(C)CN(C2CCC(=O)CC2)C1
InChIInChI=1S/C12H21NO2/c1-3-15-12(2)8-13(9-12)10-4-6-11(14)7-5-10/h10H,3-9H2,1-2H3
InChIKeyMFGCPCFLSVQLKP-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.61
Rot. Bonds3

About 4-(3-ethoxy-3-methylazetidin-1-yl)cyclohexan-1-one

4-(3-ethoxy-3-methylazetidin-1-yl)cyclohexan-1-one (PubChem CID 130826077) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-(3-ethoxy-3-methylazetidin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(3-ethoxy-3-methylazetidin-1-yl)cyclohexan-1-one
PubChem CID130826077
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-(3-ethoxy-3-methylazetidin-1-yl)cyclohexan-1-one
SMILESCCOC1(C)CN(C2CCC(=O)CC2)C1
InChIInChI=1S/C12H21NO2/c1-3-15-12(2)8-13(9-12)10-4-6-11(14)7-5-10/h10H,3-9H2,1-2H3
InChIKeyMFGCPCFLSVQLKP-UHFFFAOYSA-N
XLogP1.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-3-methylazetidin-1-yl)cyclohexan-1-one?
The IUPAC name of 4-(3-ethoxy-3-methylazetidin-1-yl)cyclohexan-1-one (CID 130826077) is 4-(3-ethoxy-3-methylazetidin-1-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(3-ethoxy-3-methylazetidin-1-yl)cyclohexan-1-one?
The canonical SMILES for 4-(3-ethoxy-3-methylazetidin-1-yl)cyclohexan-1-one is CCOC1(C)CN(C2CCC(=O)CC2)C1.
What is the InChIKey of 4-(3-ethoxy-3-methylazetidin-1-yl)cyclohexan-1-one?
The InChIKey is MFGCPCFLSVQLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-15-12(2)8-13(9-12)10-4-6-11(14)7-5-10/h10H,3-9H2,1-2H3.
What are the key properties of 4-(3-ethoxy-3-methylazetidin-1-yl)cyclohexan-1-one?
4-(3-ethoxy-3-methylazetidin-1-yl)cyclohexan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-3-methylazetidin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 130826077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).