(E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one

C10H12N2O — CID 103453454

IUPAC(E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one
SMILESC/C=C/C(=O)Cc1cccnc1N
InChIInChI=1S/C10H12N2O/c1-2-4-9(13)7-8-5-3-6-12-10(8)11/h2-6H,7H2,1H3,(H2,11,12)/b4-2+
InChIKeyJESJHKZBDLQIBA-DUXPYHPUSA-N
MW176.22 g/mol
LogP1.35
Rot. Bonds3

About (E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one

(E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one (PubChem CID 103453454) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one
PubChem CID103453454
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one
SMILESC/C=C/C(=O)Cc1cccnc1N
InChIInChI=1S/C10H12N2O/c1-2-4-9(13)7-8-5-3-6-12-10(8)11/h2-6H,7H2,1H3,(H2,11,12)/b4-2+
InChIKeyJESJHKZBDLQIBA-DUXPYHPUSA-N
XLogP1.35
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[(Z)-2-methyliminopent-3-enyl]pyridin-2-amine
CID 143596497
2-(2-amino-3-pyridinyl)-N-methylacetamide;hydrochloride
CID 130695658
2-(2-amino-3-pyridinyl)acetohydrazide
CID 130616635
4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one
CID 116564663
2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone
CID 116613939
2-(2-amino-3-pyridinyl)acetohydrazide;hydrochloride
CID 130616634
S-[(2-amino-3-pyridinyl)methyl] ethanethioate
CID 71341899
(E)-1-pyridin-3-ylpent-3-en-2-one
CID 103453253
3-(methylsulfonylmethyl)pyridin-2-amine
CID 117212620
1-(2-amino-3-pyridinyl)-5-(methylamino)pentan-2-one
CID 116555763
1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one
CID 64503842
2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone
CID 103443047

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one?
The IUPAC name of (E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one (CID 103453454) is (E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one.
What is the SMILES notation for (E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one?
The canonical SMILES for (E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one is C/C=C/C(=O)Cc1cccnc1N.
What is the InChIKey of (E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one?
The InChIKey is JESJHKZBDLQIBA-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-4-9(13)7-8-5-3-6-12-10(8)11/h2-6H,7H2,1H3,(H2,11,12)/b4-2+.
What are the key properties of (E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one?
(E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one is sourced from PubChem (CID 103453454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).