2-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C13H17N3O4 — CID 102890825

IUPAC2-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESO=C1CCC(C(=O)N2CC3CCCC3C2C(=O)O)=NN1
InChIInChI=1S/C13H17N3O4/c17-10-5-4-9(14-15-10)12(18)16-6-7-2-1-3-8(7)11(16)13(19)20/h7-8,11H,1-6H2,(H,15,17)(H,19,20)
InChIKeyVDOPJHHYCDQSGF-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.04
Rot. Bonds2

About 2-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

2-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 102890825) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
PubChem CID102890825
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESO=C1CCC(C(=O)N2CC3CCCC3C2C(=O)O)=NN1
InChIInChI=1S/C13H17N3O4/c17-10-5-4-9(14-15-10)12(18)16-6-7-2-1-3-8(7)11(16)13(19)20/h7-8,11H,1-6H2,(H,15,17)(H,19,20)
InChIKeyVDOPJHHYCDQSGF-UHFFFAOYSA-N
XLogP-0.04
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid with MolForge

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Related Compounds

(3S,3aS,6aR)-2-acetyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 141323765
2-(3,5-dioxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890415
2-(1H-pyrazole-5-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890418
2-(1-methyl-2-oxopyridine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102891536
2-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890796
2-(3-bromo-5-fluorobenzoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890895
2-(1,3-dimethylpyrazole-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102891454
2-(4-methyl-1,3-thiazole-5-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102891144
3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43420594
1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-3-carboxamide
CID 43397906
3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43397830
2-prop-2-enoyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102891590

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The IUPAC name of 2-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 102890825) is 2-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is O=C1CCC(C(=O)N2CC3CCCC3C2C(=O)O)=NN1.
What is the InChIKey of 2-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The InChIKey is VDOPJHHYCDQSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-10-5-4-9(14-15-10)12(18)16-6-7-2-1-3-8(7)11(16)13(19)20/h7-8,11H,1-6H2,(H,15,17)(H,19,20).
What are the key properties of 2-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
2-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 102890825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).