2-[(1S)-1-aminoethyl]-1H-pyridin-4-one

C7H10N2O — CID 96848334

IUPAC2-[(1S)-1-aminoethyl]-1H-pyridin-4-one
SMILESC[C@H](N)c1cc(=O)cc[nH]1
InChIInChI=1S/C7H10N2O/c1-5(8)7-4-6(10)2-3-9-7/h2-5H,8H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyZXLDGYAUDWVUSS-YFKPBYRVSA-N
MW138.17 g/mol
LogP0.39
Rot. Bonds1

About 2-[(1S)-1-aminoethyl]-1H-pyridin-4-one

2-[(1S)-1-aminoethyl]-1H-pyridin-4-one (PubChem CID 96848334) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-1H-pyridin-4-one
PubChem CID96848334
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-[(1S)-1-aminoethyl]-1H-pyridin-4-one
SMILESC[C@H](N)c1cc(=O)cc[nH]1
InChIInChI=1S/C7H10N2O/c1-5(8)7-4-6(10)2-3-9-7/h2-5H,8H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyZXLDGYAUDWVUSS-YFKPBYRVSA-N
XLogP0.39
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-1H-pyridin-4-one?
The IUPAC name of 2-[(1S)-1-aminoethyl]-1H-pyridin-4-one (CID 96848334) is 2-[(1S)-1-aminoethyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-1H-pyridin-4-one?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-1H-pyridin-4-one is C[C@H](N)c1cc(=O)cc[nH]1.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-1H-pyridin-4-one?
The InChIKey is ZXLDGYAUDWVUSS-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5(8)7-4-6(10)2-3-9-7/h2-5H,8H2,1H3,(H,9,10)/t5-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-1H-pyridin-4-one?
2-[(1S)-1-aminoethyl]-1H-pyridin-4-one has a molecular weight of 138.17 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-1H-pyridin-4-one is sourced from PubChem (CID 96848334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).