3-[(1R)-1-aminopropyl]-6-methyl-1H-pyridin-2-one

C9H14N2O — CID 131071334

IUPAC3-[(1R)-1-aminopropyl]-6-methyl-1H-pyridin-2-one
SMILESCC[C@@H](N)c1ccc(C)[nH]c1=O
InChIInChI=1S/C9H14N2O/c1-3-8(10)7-5-4-6(2)11-9(7)12/h4-5,8H,3,10H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyXCGSGXQQYIAABX-MRVPVSSYSA-N
MW166.22 g/mol
LogP1.09
Rot. Bonds2

About 3-[(1R)-1-aminopropyl]-6-methyl-1H-pyridin-2-one

3-[(1R)-1-aminopropyl]-6-methyl-1H-pyridin-2-one (PubChem CID 131071334) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-[(1R)-1-aminopropyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1R)-1-aminopropyl]-6-methyl-1H-pyridin-2-one
PubChem CID131071334
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-[(1R)-1-aminopropyl]-6-methyl-1H-pyridin-2-one
SMILESCC[C@@H](N)c1ccc(C)[nH]c1=O
InChIInChI=1S/C9H14N2O/c1-3-8(10)7-5-4-6(2)11-9(7)12/h4-5,8H,3,10H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyXCGSGXQQYIAABX-MRVPVSSYSA-N
XLogP1.09
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-aminopropyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[(1R)-1-aminopropyl]-6-methyl-1H-pyridin-2-one (CID 131071334) is 3-[(1R)-1-aminopropyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1R)-1-aminopropyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(1R)-1-aminopropyl]-6-methyl-1H-pyridin-2-one is CC[C@@H](N)c1ccc(C)[nH]c1=O.
What is the InChIKey of 3-[(1R)-1-aminopropyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is XCGSGXQQYIAABX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-8(10)7-5-4-6(2)11-9(7)12/h4-5,8H,3,10H2,1-2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of 3-[(1R)-1-aminopropyl]-6-methyl-1H-pyridin-2-one?
3-[(1R)-1-aminopropyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-aminopropyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 131071334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).