7-prop-2-enyl-5,6-dihydro-1,7-naphthyridin-8-one

C11H12N2O — CID 146344020

IUPAC7-prop-2-enyl-5,6-dihydro-1,7-naphthyridin-8-one
SMILESC=CCN1CCc2cccnc2C1=O
InChIInChI=1S/C11H12N2O/c1-2-7-13-8-5-9-4-3-6-12-10(9)11(13)14/h2-4,6H,1,5,7-8H2
InChIKeyVNXNODILOLSHPY-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.27
Rot. Bonds2

About 7-prop-2-enyl-5,6-dihydro-1,7-naphthyridin-8-one

7-prop-2-enyl-5,6-dihydro-1,7-naphthyridin-8-one (PubChem CID 146344020) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 7-prop-2-enyl-5,6-dihydro-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-prop-2-enyl-5,6-dihydro-1,7-naphthyridin-8-one
PubChem CID146344020
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name7-prop-2-enyl-5,6-dihydro-1,7-naphthyridin-8-one
SMILESC=CCN1CCc2cccnc2C1=O
InChIInChI=1S/C11H12N2O/c1-2-7-13-8-5-9-4-3-6-12-10(9)11(13)14/h2-4,6H,1,5,7-8H2
InChIKeyVNXNODILOLSHPY-UHFFFAOYSA-N
XLogP1.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-prop-2-enyl-5,6-dihydro-1,7-naphthyridin-8-one?
The IUPAC name of 7-prop-2-enyl-5,6-dihydro-1,7-naphthyridin-8-one (CID 146344020) is 7-prop-2-enyl-5,6-dihydro-1,7-naphthyridin-8-one.
What is the SMILES notation for 7-prop-2-enyl-5,6-dihydro-1,7-naphthyridin-8-one?
The canonical SMILES for 7-prop-2-enyl-5,6-dihydro-1,7-naphthyridin-8-one is C=CCN1CCc2cccnc2C1=O.
What is the InChIKey of 7-prop-2-enyl-5,6-dihydro-1,7-naphthyridin-8-one?
The InChIKey is VNXNODILOLSHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-7-13-8-5-9-4-3-6-12-10(9)11(13)14/h2-4,6H,1,5,7-8H2.
What are the key properties of 7-prop-2-enyl-5,6-dihydro-1,7-naphthyridin-8-one?
7-prop-2-enyl-5,6-dihydro-1,7-naphthyridin-8-one has a molecular weight of 188.23 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-2-enyl-5,6-dihydro-1,7-naphthyridin-8-one is sourced from PubChem (CID 146344020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).