3-methyl-3,8a-dihydro-2H-2,6-naphthyridin-1-one

C9H10N2O — CID 123271470

IUPAC3-methyl-3,8a-dihydro-2H-2,6-naphthyridin-1-one
SMILESCC1C=C2C=NC=CC2C(=O)N1
InChIInChI=1S/C9H10N2O/c1-6-4-7-5-10-3-2-8(7)9(12)11-6/h2-6,8H,1H3,(H,11,12)
InChIKeyVAGIWTNJKPREKC-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.65
Rot. Bonds

About 3-methyl-3,8a-dihydro-2H-2,6-naphthyridin-1-one

3-methyl-3,8a-dihydro-2H-2,6-naphthyridin-1-one (PubChem CID 123271470) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-methyl-3,8a-dihydro-2H-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name3-methyl-3,8a-dihydro-2H-2,6-naphthyridin-1-one
PubChem CID123271470
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-methyl-3,8a-dihydro-2H-2,6-naphthyridin-1-one
SMILESCC1C=C2C=NC=CC2C(=O)N1
InChIInChI=1S/C9H10N2O/c1-6-4-7-5-10-3-2-8(7)9(12)11-6/h2-6,8H,1H3,(H,11,12)
InChIKeyVAGIWTNJKPREKC-UHFFFAOYSA-N
XLogP0.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,8a-dihydro-4aH-1,6-naphthyridin-5-one
CID 134912740
N-propan-2-yl-3,4-dihydropyridine-3-carboxamide
CID 69528979
N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide
CID 144603700
4-(ethylideneamino)-3-[(Z)-prop-1-enyl]-3,4-dihydro-1H-pyridin-2-one
CID 144977444
N-(6,7-dihydroisoquinolin-6-yl)acetamide
CID 160361254
(8aR)-7-methyl-6,8a-dihydro-4aH-1,6-naphthyridin-5-one
CID 164042030
carbanide;lawrencium;N-propan-2-yl-2-(3H-pyridin-3-id-4-yl)acetamide
CID 170581096
5-(2,3-dihydro-1H-pyridin-4-ylidene)-N-methyl-2H-pyridine-2-carboxamide
CID 175451919

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,8a-dihydro-2H-2,6-naphthyridin-1-one?
The IUPAC name of 3-methyl-3,8a-dihydro-2H-2,6-naphthyridin-1-one (CID 123271470) is 3-methyl-3,8a-dihydro-2H-2,6-naphthyridin-1-one.
What is the SMILES notation for 3-methyl-3,8a-dihydro-2H-2,6-naphthyridin-1-one?
The canonical SMILES for 3-methyl-3,8a-dihydro-2H-2,6-naphthyridin-1-one is CC1C=C2C=NC=CC2C(=O)N1.
What is the InChIKey of 3-methyl-3,8a-dihydro-2H-2,6-naphthyridin-1-one?
The InChIKey is VAGIWTNJKPREKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-4-7-5-10-3-2-8(7)9(12)11-6/h2-6,8H,1H3,(H,11,12).
What are the key properties of 3-methyl-3,8a-dihydro-2H-2,6-naphthyridin-1-one?
3-methyl-3,8a-dihydro-2H-2,6-naphthyridin-1-one has a molecular weight of 162.19 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,8a-dihydro-2H-2,6-naphthyridin-1-one is sourced from PubChem (CID 123271470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).