6,7-dihydro-5H-cyclopenta[c]pyridazine-3,4-dione

C7H6N2O2 — CID 138059176

IUPAC6,7-dihydro-5H-cyclopenta[c]pyridazine-3,4-dione
SMILESO=C1N=NC2=C(CCC2)C1=O
InChIInChI=1S/C7H6N2O2/c10-6-4-2-1-3-5(4)8-9-7(6)11/h1-3H2
InChIKeyNUESHSGIPLSUBM-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.99
Rot. Bonds

About 6,7-dihydro-5H-cyclopenta[c]pyridazine-3,4-dione

6,7-dihydro-5H-cyclopenta[c]pyridazine-3,4-dione (PubChem CID 138059176) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[c]pyridazine-3,4-dione.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[c]pyridazine-3,4-dione
PubChem CID138059176
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name6,7-dihydro-5H-cyclopenta[c]pyridazine-3,4-dione
SMILESO=C1N=NC2=C(CCC2)C1=O
InChIInChI=1S/C7H6N2O2/c10-6-4-2-1-3-5(4)8-9-7(6)11/h1-3H2
InChIKeyNUESHSGIPLSUBM-UHFFFAOYSA-N
XLogP0.99
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 78176786
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CID 10982328
3,4,5,6-tetrahydrocyclopenta[c]pyrazole
CID 23320733
tricyclo[4.3.0.02,7]nona-1,6-diene
CID 149382388
3,4,5,6,7,8-hexahydronaphthalene-1,2-dione
CID 22709046
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CID 174898123
3-methylidene-5,6-dihydro-4H-cyclopenta[b]pyrrole
CID 59820667
7-hydroxy-2,3-dihydro-1H-indene-4,5-dione
CID 130031115
1,2,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-3-one
CID 11031398
1,3-bis[tert-butyl(dimethyl)silyl]-4,5,6,7-tetrahydroinden-2-one
CID 102444280
2-amino-4-cyclopentylidene-3H-pyrrol-5-one
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1,2-dioxa-3,4-diazacyclohexadec-3-ene-5,6,7,8-tetrone
CID 23038057

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[c]pyridazine-3,4-dione?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[c]pyridazine-3,4-dione (CID 138059176) is 6,7-dihydro-5H-cyclopenta[c]pyridazine-3,4-dione.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[c]pyridazine-3,4-dione?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[c]pyridazine-3,4-dione is O=C1N=NC2=C(CCC2)C1=O.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[c]pyridazine-3,4-dione?
The InChIKey is NUESHSGIPLSUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c10-6-4-2-1-3-5(4)8-9-7(6)11/h1-3H2.
What are the key properties of 6,7-dihydro-5H-cyclopenta[c]pyridazine-3,4-dione?
6,7-dihydro-5H-cyclopenta[c]pyridazine-3,4-dione has a molecular weight of 150.14 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[c]pyridazine-3,4-dione is sourced from PubChem (CID 138059176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).