3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione

C10H10N2O2 — CID 15292474

IUPAC3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione
SMILESCC1(C)C(=O)Nc2ncccc2C1=O
InChIInChI=1S/C10H10N2O2/c1-10(2)7(13)6-4-3-5-11-8(6)12-9(10)14/h3-5H,1-2H3,(H,11,12,14)
InChIKeyPWLZLSHAOFRRDT-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.24
Rot. Bonds

About 3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione

3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione (PubChem CID 15292474) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione.

Molecular Properties

Compound Name3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione
PubChem CID15292474
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione
SMILESCC1(C)C(=O)Nc2ncccc2C1=O
InChIInChI=1S/C10H10N2O2/c1-10(2)7(13)6-4-3-5-11-8(6)12-9(10)14/h3-5H,1-2H3,(H,11,12,14)
InChIKeyPWLZLSHAOFRRDT-UHFFFAOYSA-N
XLogP1.24
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione?
The IUPAC name of 3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione (CID 15292474) is 3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione.
What is the SMILES notation for 3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione?
The canonical SMILES for 3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione is CC1(C)C(=O)Nc2ncccc2C1=O.
What is the InChIKey of 3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione?
The InChIKey is PWLZLSHAOFRRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-10(2)7(13)6-4-3-5-11-8(6)12-9(10)14/h3-5H,1-2H3,(H,11,12,14).
What are the key properties of 3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione?
3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione has a molecular weight of 190.20 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione is sourced from PubChem (CID 15292474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).