2-methylidene-4,6-dihydro-1H-1,6-naphthyridine-3,5-dione

C9H8N2O2 — CID 158182969

IUPAC2-methylidene-4,6-dihydro-1H-1,6-naphthyridine-3,5-dione
SMILESC=C1Nc2cc[nH]c(=O)c2CC1=O
InChIInChI=1S/C9H8N2O2/c1-5-8(12)4-6-7(11-5)2-3-10-9(6)13/h2-3,11H,1,4H2,(H,10,13)
InChIKeyZMXWJPWXARCBRM-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.43
Rot. Bonds

About 2-methylidene-4,6-dihydro-1H-1,6-naphthyridine-3,5-dione

2-methylidene-4,6-dihydro-1H-1,6-naphthyridine-3,5-dione (PubChem CID 158182969) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-methylidene-4,6-dihydro-1H-1,6-naphthyridine-3,5-dione.

Molecular Properties

Compound Name2-methylidene-4,6-dihydro-1H-1,6-naphthyridine-3,5-dione
PubChem CID158182969
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2-methylidene-4,6-dihydro-1H-1,6-naphthyridine-3,5-dione
SMILESC=C1Nc2cc[nH]c(=O)c2CC1=O
InChIInChI=1S/C9H8N2O2/c1-5-8(12)4-6-7(11-5)2-3-10-9(6)13/h2-3,11H,1,4H2,(H,10,13)
InChIKeyZMXWJPWXARCBRM-UHFFFAOYSA-N
XLogP0.43
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4,6-dihydro-1H-1,6-naphthyridine-2,3,5-trione
CID 58286731
7-methylidene-3-azabicyclo[4.2.0]octa-1(6),4-dien-2-one
CID 13405592
6-methyl-2-methylidene-1,4-dihydro-1,5-naphthyridin-3-one
CID 157152247
2,5,6,11-tetrahydropyrido[4,3-c][1]benzazepin-1-one
CID 57265088
spiro[3,5-dihydrofuro[3,4-c]pyridine-1,4'-piperidine]-4-one
CID 143650402
1,3,4,6-tetrahydropyrano[4,3-c]pyridin-5-one
CID 176697561
6-amino-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile
CID 163914109
6-methyl-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile
CID 166893008
1,4,5,8-tetrahydrooxepino[3,4-c]pyridine-3,9-dione
CID 57240780
2-pyridin-3-yl-3,5-dihydro-1H-pyrazolo[4,3-c]pyridin-4-one
CID 118515514
3-bromo-4-chloro-1H-pyridin-2-one
CID 119024517
spiro[4,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]-3-one
CID 82375732

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4,6-dihydro-1H-1,6-naphthyridine-3,5-dione?
The IUPAC name of 2-methylidene-4,6-dihydro-1H-1,6-naphthyridine-3,5-dione (CID 158182969) is 2-methylidene-4,6-dihydro-1H-1,6-naphthyridine-3,5-dione.
What is the SMILES notation for 2-methylidene-4,6-dihydro-1H-1,6-naphthyridine-3,5-dione?
The canonical SMILES for 2-methylidene-4,6-dihydro-1H-1,6-naphthyridine-3,5-dione is C=C1Nc2cc[nH]c(=O)c2CC1=O.
What is the InChIKey of 2-methylidene-4,6-dihydro-1H-1,6-naphthyridine-3,5-dione?
The InChIKey is ZMXWJPWXARCBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-5-8(12)4-6-7(11-5)2-3-10-9(6)13/h2-3,11H,1,4H2,(H,10,13).
What are the key properties of 2-methylidene-4,6-dihydro-1H-1,6-naphthyridine-3,5-dione?
2-methylidene-4,6-dihydro-1H-1,6-naphthyridine-3,5-dione has a molecular weight of 176.17 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4,6-dihydro-1H-1,6-naphthyridine-3,5-dione is sourced from PubChem (CID 158182969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).