4-(1-bicyclo[2.2.2]octa-2,4-dienyl)-5,6,7,8-tetrahydro-1H-1,5-naphthyridin-2-one

C16H18N2O — CID 66995254

IUPAC4-(1-bicyclo[2.2.2]octa-2,4-dienyl)-5,6,7,8-tetrahydro-1H-1,5-naphthyridin-2-one
SMILESO=c1cc(C23C=CC(=CC2)CC3)c2c([nH]1)CCCN2
InChIInChI=1S/C16H18N2O/c19-14-10-12(15-13(18-14)2-1-9-17-15)16-6-3-11(4-7-16)5-8-16/h3-4,6,10,17H,1-2,5,7-9H2,(H,18,19)
InChIKeyMYRTYCUAUISCRD-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.65
Rot. Bonds1

About 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)-5,6,7,8-tetrahydro-1H-1,5-naphthyridin-2-one

4-(1-bicyclo[2.2.2]octa-2,4-dienyl)-5,6,7,8-tetrahydro-1H-1,5-naphthyridin-2-one (PubChem CID 66995254) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)-5,6,7,8-tetrahydro-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name4-(1-bicyclo[2.2.2]octa-2,4-dienyl)-5,6,7,8-tetrahydro-1H-1,5-naphthyridin-2-one
PubChem CID66995254
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-(1-bicyclo[2.2.2]octa-2,4-dienyl)-5,6,7,8-tetrahydro-1H-1,5-naphthyridin-2-one
SMILESO=c1cc(C23C=CC(=CC2)CC3)c2c([nH]1)CCCN2
InChIInChI=1S/C16H18N2O/c19-14-10-12(15-13(18-14)2-1-9-17-15)16-6-3-11(4-7-16)5-8-16/h3-4,6,10,17H,1-2,5,7-9H2,(H,18,19)
InChIKeyMYRTYCUAUISCRD-UHFFFAOYSA-N
XLogP2.65
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)-5,6,7,8-tetrahydro-1H-1,5-naphthyridin-2-one?
The IUPAC name of 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)-5,6,7,8-tetrahydro-1H-1,5-naphthyridin-2-one (CID 66995254) is 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)-5,6,7,8-tetrahydro-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)-5,6,7,8-tetrahydro-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)-5,6,7,8-tetrahydro-1H-1,5-naphthyridin-2-one is O=c1cc(C23C=CC(=CC2)CC3)c2c([nH]1)CCCN2.
What is the InChIKey of 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)-5,6,7,8-tetrahydro-1H-1,5-naphthyridin-2-one?
The InChIKey is MYRTYCUAUISCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-14-10-12(15-13(18-14)2-1-9-17-15)16-6-3-11(4-7-16)5-8-16/h3-4,6,10,17H,1-2,5,7-9H2,(H,18,19).
What are the key properties of 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)-5,6,7,8-tetrahydro-1H-1,5-naphthyridin-2-one?
4-(1-bicyclo[2.2.2]octa-2,4-dienyl)-5,6,7,8-tetrahydro-1H-1,5-naphthyridin-2-one has a molecular weight of 254.33 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)-5,6,7,8-tetrahydro-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 66995254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).