2-methyl-4,4a,5,6-tetrahydro-3H-2,6-naphthyridine-1,7-dione

C9H12N2O2 — CID 141135370

IUPAC2-methyl-4,4a,5,6-tetrahydro-3H-2,6-naphthyridine-1,7-dione
SMILESCN1CCC2CNC(=O)C=C2C1=O
InChIInChI=1S/C9H12N2O2/c1-11-3-2-6-5-10-8(12)4-7(6)9(11)13/h4,6H,2-3,5H2,1H3,(H,10,12)
InChIKeyWUQUGIFUZPLERR-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.48
Rot. Bonds

About 2-methyl-4,4a,5,6-tetrahydro-3H-2,6-naphthyridine-1,7-dione

2-methyl-4,4a,5,6-tetrahydro-3H-2,6-naphthyridine-1,7-dione (PubChem CID 141135370) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-methyl-4,4a,5,6-tetrahydro-3H-2,6-naphthyridine-1,7-dione.

Molecular Properties

Compound Name2-methyl-4,4a,5,6-tetrahydro-3H-2,6-naphthyridine-1,7-dione
PubChem CID141135370
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-methyl-4,4a,5,6-tetrahydro-3H-2,6-naphthyridine-1,7-dione
SMILESCN1CCC2CNC(=O)C=C2C1=O
InChIInChI=1S/C9H12N2O2/c1-11-3-2-6-5-10-8(12)4-7(6)9(11)13/h4,6H,2-3,5H2,1H3,(H,10,12)
InChIKeyWUQUGIFUZPLERR-UHFFFAOYSA-N
XLogP-0.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,4a,5,6-tetrahydro-3H-2,6-naphthyridine-1,7-dione?
The IUPAC name of 2-methyl-4,4a,5,6-tetrahydro-3H-2,6-naphthyridine-1,7-dione (CID 141135370) is 2-methyl-4,4a,5,6-tetrahydro-3H-2,6-naphthyridine-1,7-dione.
What is the SMILES notation for 2-methyl-4,4a,5,6-tetrahydro-3H-2,6-naphthyridine-1,7-dione?
The canonical SMILES for 2-methyl-4,4a,5,6-tetrahydro-3H-2,6-naphthyridine-1,7-dione is CN1CCC2CNC(=O)C=C2C1=O.
What is the InChIKey of 2-methyl-4,4a,5,6-tetrahydro-3H-2,6-naphthyridine-1,7-dione?
The InChIKey is WUQUGIFUZPLERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11-3-2-6-5-10-8(12)4-7(6)9(11)13/h4,6H,2-3,5H2,1H3,(H,10,12).
What are the key properties of 2-methyl-4,4a,5,6-tetrahydro-3H-2,6-naphthyridine-1,7-dione?
2-methyl-4,4a,5,6-tetrahydro-3H-2,6-naphthyridine-1,7-dione has a molecular weight of 180.21 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,4a,5,6-tetrahydro-3H-2,6-naphthyridine-1,7-dione is sourced from PubChem (CID 141135370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).