3-(3-aminopropyl)-1-ethylpyridin-2-one

C10H16N2O — CID 105438966

IUPAC3-(3-aminopropyl)-1-ethylpyridin-2-one
SMILESCCn1cccc(CCCN)c1=O
InChIInChI=1S/C10H16N2O/c1-2-12-8-4-6-9(10(12)13)5-3-7-11/h4,6,8H,2-3,5,7,11H2,1H3
InChIKeyBGVLDMQPPYZKLJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.76
Rot. Bonds4

About 3-(3-aminopropyl)-1-ethylpyridin-2-one

3-(3-aminopropyl)-1-ethylpyridin-2-one (PubChem CID 105438966) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-ethylpyridin-2-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-ethylpyridin-2-one
PubChem CID105438966
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(3-aminopropyl)-1-ethylpyridin-2-one
SMILESCCn1cccc(CCCN)c1=O
InChIInChI=1S/C10H16N2O/c1-2-12-8-4-6-9(10(12)13)5-3-7-11/h4,6,8H,2-3,5,7,11H2,1H3
InChIKeyBGVLDMQPPYZKLJ-UHFFFAOYSA-N
XLogP0.76
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-ethylpyridin-2-one?
The IUPAC name of 3-(3-aminopropyl)-1-ethylpyridin-2-one (CID 105438966) is 3-(3-aminopropyl)-1-ethylpyridin-2-one.
What is the SMILES notation for 3-(3-aminopropyl)-1-ethylpyridin-2-one?
The canonical SMILES for 3-(3-aminopropyl)-1-ethylpyridin-2-one is CCn1cccc(CCCN)c1=O.
What is the InChIKey of 3-(3-aminopropyl)-1-ethylpyridin-2-one?
The InChIKey is BGVLDMQPPYZKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-12-8-4-6-9(10(12)13)5-3-7-11/h4,6,8H,2-3,5,7,11H2,1H3.
What are the key properties of 3-(3-aminopropyl)-1-ethylpyridin-2-one?
3-(3-aminopropyl)-1-ethylpyridin-2-one has a molecular weight of 180.25 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-ethylpyridin-2-one is sourced from PubChem (CID 105438966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).