3-(aminomethyl)-6-butyl-1H-pyridin-2-one

C10H16N2O — CID 19012449

IUPAC3-(aminomethyl)-6-butyl-1H-pyridin-2-one
SMILESCCCCc1ccc(CN)c(=O)[nH]1
InChIInChI=1S/C10H16N2O/c1-2-3-4-9-6-5-8(7-11)10(13)12-9/h5-6H,2-4,7,11H2,1H3,(H,12,13)
InChIKeyCYORHIUZWWCTMY-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.18
Rot. Bonds4

About 3-(aminomethyl)-6-butyl-1H-pyridin-2-one

3-(aminomethyl)-6-butyl-1H-pyridin-2-one (PubChem CID 19012449) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(aminomethyl)-6-butyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-butyl-1H-pyridin-2-one
PubChem CID19012449
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(aminomethyl)-6-butyl-1H-pyridin-2-one
SMILESCCCCc1ccc(CN)c(=O)[nH]1
InChIInChI=1S/C10H16N2O/c1-2-3-4-9-6-5-8(7-11)10(13)12-9/h5-6H,2-4,7,11H2,1H3,(H,12,13)
InChIKeyCYORHIUZWWCTMY-UHFFFAOYSA-N
XLogP1.18
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-butyl-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-butyl-1H-pyridin-2-one (CID 19012449) is 3-(aminomethyl)-6-butyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-butyl-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-butyl-1H-pyridin-2-one is CCCCc1ccc(CN)c(=O)[nH]1.
What is the InChIKey of 3-(aminomethyl)-6-butyl-1H-pyridin-2-one?
The InChIKey is CYORHIUZWWCTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-3-4-9-6-5-8(7-11)10(13)12-9/h5-6H,2-4,7,11H2,1H3,(H,12,13).
What are the key properties of 3-(aminomethyl)-6-butyl-1H-pyridin-2-one?
3-(aminomethyl)-6-butyl-1H-pyridin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-butyl-1H-pyridin-2-one is sourced from PubChem (CID 19012449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).