1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one

C13H18N2O — CID 176691899

IUPAC1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one
SMILESCC(C)N1CC2C(C1)C2n1ccccc1=O
InChIInChI=1S/C13H18N2O/c1-9(2)14-7-10-11(8-14)13(10)15-6-4-3-5-12(15)16/h3-6,9-11,13H,7-8H2,1-2H3
InChIKeyKNBQJDTVOUHYJI-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.36
Rot. Bonds2

About 1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one

1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one (PubChem CID 176691899) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one
PubChem CID176691899
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one
SMILESCC(C)N1CC2C(C1)C2n1ccccc1=O
InChIInChI=1S/C13H18N2O/c1-9(2)14-7-10-11(8-14)13(10)15-6-4-3-5-12(15)16/h3-6,9-11,13H,7-8H2,1-2H3
InChIKeyKNBQJDTVOUHYJI-UHFFFAOYSA-N
XLogP1.36
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one?
The IUPAC name of 1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one (CID 176691899) is 1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one.
What is the SMILES notation for 1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one?
The canonical SMILES for 1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one is CC(C)N1CC2C(C1)C2n1ccccc1=O.
What is the InChIKey of 1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one?
The InChIKey is KNBQJDTVOUHYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)14-7-10-11(8-14)13(10)15-6-4-3-5-12(15)16/h3-6,9-11,13H,7-8H2,1-2H3.
What are the key properties of 1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one?
1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one is sourced from PubChem (CID 176691899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).