4-[(3Z)-penta-1,3-dien-2-yl]-2H-2,7-naphthyridin-1-one

C13H12N2O — CID 155044833

IUPAC4-[(3Z)-penta-1,3-dien-2-yl]-2H-2,7-naphthyridin-1-one
SMILESC=C(/C=C\C)c1c[nH]c(=O)c2cnccc12
InChIInChI=1S/C13H12N2O/c1-3-4-9(2)11-8-15-13(16)12-7-14-6-5-10(11)12/h3-8H,2H2,1H3,(H,15,16)/b4-3-
InChIKeyFYLKYFHZQSXDTF-ARJAWSKDSA-N
MW212.25 g/mol
LogP2.51
Rot. Bonds2

About 4-[(3Z)-penta-1,3-dien-2-yl]-2H-2,7-naphthyridin-1-one

4-[(3Z)-penta-1,3-dien-2-yl]-2H-2,7-naphthyridin-1-one (PubChem CID 155044833) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-[(3Z)-penta-1,3-dien-2-yl]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[(3Z)-penta-1,3-dien-2-yl]-2H-2,7-naphthyridin-1-one
PubChem CID155044833
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-[(3Z)-penta-1,3-dien-2-yl]-2H-2,7-naphthyridin-1-one
SMILESC=C(/C=C\C)c1c[nH]c(=O)c2cnccc12
InChIInChI=1S/C13H12N2O/c1-3-4-9(2)11-8-15-13(16)12-7-14-6-5-10(11)12/h3-8H,2H2,1H3,(H,15,16)/b4-3-
InChIKeyFYLKYFHZQSXDTF-ARJAWSKDSA-N
XLogP2.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(3Z)-penta-1,3-dien-2-yl]-2H-2,7-naphthyridin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3Z)-penta-1,3-dien-2-yl]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 4-[(3Z)-penta-1,3-dien-2-yl]-2H-2,7-naphthyridin-1-one (CID 155044833) is 4-[(3Z)-penta-1,3-dien-2-yl]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[(3Z)-penta-1,3-dien-2-yl]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[(3Z)-penta-1,3-dien-2-yl]-2H-2,7-naphthyridin-1-one is C=C(/C=C\C)c1c[nH]c(=O)c2cnccc12.
What is the InChIKey of 4-[(3Z)-penta-1,3-dien-2-yl]-2H-2,7-naphthyridin-1-one?
The InChIKey is FYLKYFHZQSXDTF-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H12N2O/c1-3-4-9(2)11-8-15-13(16)12-7-14-6-5-10(11)12/h3-8H,2H2,1H3,(H,15,16)/b4-3-.
What are the key properties of 4-[(3Z)-penta-1,3-dien-2-yl]-2H-2,7-naphthyridin-1-one?
4-[(3Z)-penta-1,3-dien-2-yl]-2H-2,7-naphthyridin-1-one has a molecular weight of 212.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z)-penta-1,3-dien-2-yl]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 155044833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).