2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one

C12H21NO — CID 130548344

IUPAC2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one
SMILESCCC1CCC(=O)C(CN2CCC2)C1
InChIInChI=1S/C12H21NO/c1-2-10-4-5-12(14)11(8-10)9-13-6-3-7-13/h10-11H,2-9H2,1H3
InChIKeyHDBIFGDHQJANSI-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.09
Rot. Bonds3

About 2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one

2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one (PubChem CID 130548344) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one.

Molecular Properties

Compound Name2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one
PubChem CID130548344
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one
SMILESCCC1CCC(=O)C(CN2CCC2)C1
InChIInChI=1S/C12H21NO/c1-2-10-4-5-12(14)11(8-10)9-13-6-3-7-13/h10-11H,2-9H2,1H3
InChIKeyHDBIFGDHQJANSI-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 103502496
2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-ethylcyclohexan-1-one
CID 63484106
4-ethyl-2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 112628882
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 62613397
4-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 102966876
2-[(4-methylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 62612346
2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one
CID 79417674
4-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]cyclohexan-1-one
CID 113418812
2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 107228824
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-ethylcyclohexan-1-one
CID 62613379
2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 106837717
2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 62613886

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one?
The IUPAC name of 2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one (CID 130548344) is 2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one.
What is the SMILES notation for 2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one?
The canonical SMILES for 2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one is CCC1CCC(=O)C(CN2CCC2)C1.
What is the InChIKey of 2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one?
The InChIKey is HDBIFGDHQJANSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-10-4-5-12(14)11(8-10)9-13-6-3-7-13/h10-11H,2-9H2,1H3.
What are the key properties of 2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one?
2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one is sourced from PubChem (CID 130548344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).