5-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-2-one

C12H19NO — CID 84772922

IUPAC5-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1NCC2(CC3CCCCC3)CC12
InChIInChI=1S/C12H19NO/c14-11-10-7-12(10,8-13-11)6-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,13,14)
InChIKeyLLEROGCFZPORJC-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.09
Rot. Bonds2

About 5-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-2-one

5-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 84772922) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID84772922
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1NCC2(CC3CCCCC3)CC12
InChIInChI=1S/C12H19NO/c14-11-10-7-12(10,8-13-11)6-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,13,14)
InChIKeyLLEROGCFZPORJC-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 5-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-2-one (CID 84772922) is 5-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 5-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 5-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-2-one is O=C1NCC2(CC3CCCCC3)CC12.
What is the InChIKey of 5-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is LLEROGCFZPORJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-11-10-7-12(10,8-13-11)6-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,13,14).
What are the key properties of 5-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-2-one?
5-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 84772922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).