4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one

C9H12N2O2 — CID 131037925

IUPAC4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one
SMILESC=CC[C@@H](N)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C9H12N2O2/c1-2-3-7(10)6-4-8(12)11-9(13)5-6/h2,4-5,7H,1,3,10H2,(H2,11,12,13)/t7-/m1/s1
InChIKeyKKXIUMFOGIYQNG-SSDOTTSWSA-N
MW180.21 g/mol
LogP0.66
Rot. Bonds3

About 4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one

4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one (PubChem CID 131037925) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one
PubChem CID131037925
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one
SMILESC=CC[C@@H](N)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C9H12N2O2/c1-2-3-7(10)6-4-8(12)11-9(13)5-6/h2,4-5,7H,1,3,10H2,(H2,11,12,13)/t7-/m1/s1
InChIKeyKKXIUMFOGIYQNG-SSDOTTSWSA-N
XLogP0.66
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(1S)-1-aminobutyl]-6-hydroxy-1H-pyridin-2-one
CID 130673654
4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol
CID 130731072
5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one
CID 55291962
1-(3,5-dibromophenyl)but-3-en-1-amine
CID 103693293
4-[(1S)-1-aminobut-3-enyl]phenol;hydrochloride
CID 171217719
(1S)-1-(3,5-dichlorophenyl)but-3-en-1-amine;hydrochloride
CID 171222077
4-[(R)-amino(cyclobutyl)methyl]-6-hydroxy-1H-pyridin-2-one
CID 130638199
5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one
CID 55293497
4-[(1R)-1-aminobut-3-enyl]-2,6-dichloroaniline
CID 131172310
3-[(1R)-1-aminobut-3-enyl]phenol;hydrochloride
CID 171198533
4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol
CID 55272146
5-(1-aminobut-3-enyl)-2-bromophenol
CID 130043206

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one?
The IUPAC name of 4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one (CID 131037925) is 4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one is C=CC[C@@H](N)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one?
The InChIKey is KKXIUMFOGIYQNG-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-3-7(10)6-4-8(12)11-9(13)5-6/h2,4-5,7H,1,3,10H2,(H2,11,12,13)/t7-/m1/s1.
What are the key properties of 4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one?
4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one has a molecular weight of 180.21 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 131037925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).