4-cyclohexyl-2-methyldiazetidin-3-one

C9H16N2O — CID 170227805

IUPAC4-cyclohexyl-2-methyldiazetidin-3-one
SMILESCN1NC(C2CCCCC2)C1=O
InChIInChI=1S/C9H16N2O/c1-11-9(12)8(10-11)7-5-3-2-4-6-7/h7-8,10H,2-6H2,1H3
InChIKeyNRTVPZBXPFJOKM-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.91
Rot. Bonds1

About 4-cyclohexyl-2-methyldiazetidin-3-one

4-cyclohexyl-2-methyldiazetidin-3-one (PubChem CID 170227805) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-cyclohexyl-2-methyldiazetidin-3-one.

Molecular Properties

Compound Name4-cyclohexyl-2-methyldiazetidin-3-one
PubChem CID170227805
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-cyclohexyl-2-methyldiazetidin-3-one
SMILESCN1NC(C2CCCCC2)C1=O
InChIInChI=1S/C9H16N2O/c1-11-9(12)8(10-11)7-5-3-2-4-6-7/h7-8,10H,2-6H2,1H3
InChIKeyNRTVPZBXPFJOKM-UHFFFAOYSA-N
XLogP0.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-methyldiazetidin-3-one?
The IUPAC name of 4-cyclohexyl-2-methyldiazetidin-3-one (CID 170227805) is 4-cyclohexyl-2-methyldiazetidin-3-one.
What is the SMILES notation for 4-cyclohexyl-2-methyldiazetidin-3-one?
The canonical SMILES for 4-cyclohexyl-2-methyldiazetidin-3-one is CN1NC(C2CCCCC2)C1=O.
What is the InChIKey of 4-cyclohexyl-2-methyldiazetidin-3-one?
The InChIKey is NRTVPZBXPFJOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11-9(12)8(10-11)7-5-3-2-4-6-7/h7-8,10H,2-6H2,1H3.
What are the key properties of 4-cyclohexyl-2-methyldiazetidin-3-one?
4-cyclohexyl-2-methyldiazetidin-3-one has a molecular weight of 168.24 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-methyldiazetidin-3-one is sourced from PubChem (CID 170227805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).