3-amino-1-butylpyridin-2-one

C9H14N2O — CID 62102283

IUPAC3-amino-1-butylpyridin-2-one
SMILESCCCCn1cccc(N)c1=O
InChIInChI=1S/C9H14N2O/c1-2-3-6-11-7-4-5-8(10)9(11)12/h4-5,7H,2-3,6,10H2,1H3
InChIKeyMFDZZZFSEPCHED-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.23
Rot. Bonds3

About 3-amino-1-butylpyridin-2-one

3-amino-1-butylpyridin-2-one (PubChem CID 62102283) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-amino-1-butylpyridin-2-one.

Molecular Properties

Compound Name3-amino-1-butylpyridin-2-one
PubChem CID62102283
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-amino-1-butylpyridin-2-one
SMILESCCCCn1cccc(N)c1=O
InChIInChI=1S/C9H14N2O/c1-2-3-6-11-7-4-5-8(10)9(11)12/h4-5,7H,2-3,6,10H2,1H3
InChIKeyMFDZZZFSEPCHED-UHFFFAOYSA-N
XLogP1.23
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-butylpyridin-2-one?
The IUPAC name of 3-amino-1-butylpyridin-2-one (CID 62102283) is 3-amino-1-butylpyridin-2-one.
What is the SMILES notation for 3-amino-1-butylpyridin-2-one?
The canonical SMILES for 3-amino-1-butylpyridin-2-one is CCCCn1cccc(N)c1=O.
What is the InChIKey of 3-amino-1-butylpyridin-2-one?
The InChIKey is MFDZZZFSEPCHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-3-6-11-7-4-5-8(10)9(11)12/h4-5,7H,2-3,6,10H2,1H3.
What are the key properties of 3-amino-1-butylpyridin-2-one?
3-amino-1-butylpyridin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-butylpyridin-2-one is sourced from PubChem (CID 62102283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).