5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one

C9H12N2O — CID 55291962

IUPAC5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one
SMILESC=CC[C@@H](N)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H12N2O/c1-2-3-8(10)7-4-5-9(12)11-6-7/h2,4-6,8H,1,3,10H2,(H,11,12)/t8-/m1/s1
InChIKeyPZRDYBQHZDDHEX-MRVPVSSYSA-N
MW164.21 g/mol
LogP0.95
Rot. Bonds3

About 5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one

5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one (PubChem CID 55291962) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one
PubChem CID55291962
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one
SMILESC=CC[C@@H](N)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H12N2O/c1-2-3-8(10)7-4-5-9(12)11-6-7/h2,4-6,8H,1,3,10H2,(H,11,12)/t8-/m1/s1
InChIKeyPZRDYBQHZDDHEX-MRVPVSSYSA-N
XLogP0.95
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one
CID 55292250
5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one
CID 55293497
5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride
CID 105435949
5-prop-2-enyl-1H-pyridin-2-one
CID 142063210
4-[(1S)-1-aminobut-3-enyl]-N,N-dimethylaniline
CID 55270314
4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one
CID 131037925
(1R)-1-(4-chlorophenyl)but-3-en-1-amine;hydrochloride
CID 171212189
4-[(1S)-1-aminobut-3-enyl]phenol;hydrochloride
CID 171217719
5-[(1R)-1-aminobut-3-enyl]-6-chloro-1H-pyridin-2-one
CID 130674421
1-(4-tert-butylphenyl)but-3-en-1-amine
CID 112693451
5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one
CID 55297171
1-(4-nitrophenyl)but-3-en-1-amine
CID 10821570

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one (CID 55291962) is 5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one is C=CC[C@@H](N)c1ccc(=O)[nH]c1.
What is the InChIKey of 5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one?
The InChIKey is PZRDYBQHZDDHEX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-3-8(10)7-4-5-9(12)11-6-7/h2,4-6,8H,1,3,10H2,(H,11,12)/t8-/m1/s1.
What are the key properties of 5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one?
5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one has a molecular weight of 164.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one is sourced from PubChem (CID 55291962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).