6-(1-ethoxyethenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one

C12H14N2O2 — CID 167066836

IUPAC6-(1-ethoxyethenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESC=C(OCC)c1cnc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H14N2O2/c1-3-16-8(2)10-6-9-4-5-11(15)14-12(9)13-7-10/h6-7H,2-5H2,1H3,(H,13,14,15)
InChIKeyFFPIIAFZBSQRRT-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.97
Rot. Bonds3

About 6-(1-ethoxyethenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-(1-ethoxyethenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 167066836) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-(1-ethoxyethenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(1-ethoxyethenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID167066836
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name6-(1-ethoxyethenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESC=C(OCC)c1cnc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H14N2O2/c1-3-16-8(2)10-6-9-4-5-11(15)14-12(9)13-7-10/h6-7H,2-5H2,1H3,(H,13,14,15)
InChIKeyFFPIIAFZBSQRRT-UHFFFAOYSA-N
XLogP1.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxyethenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(1-ethoxyethenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 167066836) is 6-(1-ethoxyethenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(1-ethoxyethenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(1-ethoxyethenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one is C=C(OCC)c1cnc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(1-ethoxyethenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is FFPIIAFZBSQRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-16-8(2)10-6-9-4-5-11(15)14-12(9)13-7-10/h6-7H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 6-(1-ethoxyethenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-(1-ethoxyethenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxyethenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 167066836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).