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

C14H20N2O — CID 177116576

IUPAC4-methyl-1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one
SMILESCc1ccn(C2C3CN(C(C)C)CC32)c(=O)c1
InChIInChI=1S/C14H20N2O/c1-9(2)15-7-11-12(8-15)14(11)16-5-4-10(3)6-13(16)17/h4-6,9,11-12,14H,7-8H2,1-3H3
InChIKeyQYLIBMBVZHVDRI-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.67
Rot. Bonds2

About 4-methyl-1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one

4-methyl-1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one (PubChem CID 177116576) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-methyl-1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one
PubChem CID177116576
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-methyl-1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one
SMILESCc1ccn(C2C3CN(C(C)C)CC32)c(=O)c1
InChIInChI=1S/C14H20N2O/c1-9(2)15-7-11-12(8-15)14(11)16-5-4-10(3)6-13(16)17/h4-6,9,11-12,14H,7-8H2,1-3H3
InChIKeyQYLIBMBVZHVDRI-UHFFFAOYSA-N
XLogP1.67
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one?
The IUPAC name of 4-methyl-1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one (CID 177116576) is 4-methyl-1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one.
What is the SMILES notation for 4-methyl-1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one?
The canonical SMILES for 4-methyl-1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one is Cc1ccn(C2C3CN(C(C)C)CC32)c(=O)c1.
What is the InChIKey of 4-methyl-1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one?
The InChIKey is QYLIBMBVZHVDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)15-7-11-12(8-15)14(11)16-5-4-10(3)6-13(16)17/h4-6,9,11-12,14H,7-8H2,1-3H3.
What are the key properties of 4-methyl-1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one?
4-methyl-1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one is sourced from PubChem (CID 177116576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).