3-amino-5-[(3E)-penta-1,3-dien-3-yl]-1H-pyridin-2-one

C10H12N2O — CID 129100498

IUPAC3-amino-5-[(3E)-penta-1,3-dien-3-yl]-1H-pyridin-2-one
SMILESC=C/C(=C\C)c1c[nH]c(=O)c(N)c1
InChIInChI=1S/C10H12N2O/c1-3-7(4-2)8-5-9(11)10(13)12-6-8/h3-6H,1,11H2,2H3,(H,12,13)/b7-4+
InChIKeyFSKRYEBANZIUJF-QPJJXVBHSA-N
MW176.22 g/mol
LogP1.55
Rot. Bonds2

About 3-amino-5-[(3E)-penta-1,3-dien-3-yl]-1H-pyridin-2-one

3-amino-5-[(3E)-penta-1,3-dien-3-yl]-1H-pyridin-2-one (PubChem CID 129100498) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-amino-5-[(3E)-penta-1,3-dien-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-[(3E)-penta-1,3-dien-3-yl]-1H-pyridin-2-one
PubChem CID129100498
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-amino-5-[(3E)-penta-1,3-dien-3-yl]-1H-pyridin-2-one
SMILESC=C/C(=C\C)c1c[nH]c(=O)c(N)c1
InChIInChI=1S/C10H12N2O/c1-3-7(4-2)8-5-9(11)10(13)12-6-8/h3-6H,1,11H2,2H3,(H,12,13)/b7-4+
InChIKeyFSKRYEBANZIUJF-QPJJXVBHSA-N
XLogP1.55
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3E)-penta-1,3-dien-3-yl]-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-[(3E)-penta-1,3-dien-3-yl]-1H-pyridin-2-one (CID 129100498) is 3-amino-5-[(3E)-penta-1,3-dien-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-[(3E)-penta-1,3-dien-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-[(3E)-penta-1,3-dien-3-yl]-1H-pyridin-2-one is C=C/C(=C\C)c1c[nH]c(=O)c(N)c1.
What is the InChIKey of 3-amino-5-[(3E)-penta-1,3-dien-3-yl]-1H-pyridin-2-one?
The InChIKey is FSKRYEBANZIUJF-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-7(4-2)8-5-9(11)10(13)12-6-8/h3-6H,1,11H2,2H3,(H,12,13)/b7-4+.
What are the key properties of 3-amino-5-[(3E)-penta-1,3-dien-3-yl]-1H-pyridin-2-one?
3-amino-5-[(3E)-penta-1,3-dien-3-yl]-1H-pyridin-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3E)-penta-1,3-dien-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 129100498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).