2-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C10H14N2O — CID 126857410

IUPAC2-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCC(C)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C10H14N2O/c1-7(2)12-10(13)6-8-4-3-5-9(8)11-12/h6-7H,3-5H2,1-2H3
InChIKeyJVRQPXADKAJUFO-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.31
Rot. Bonds1

About 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126857410) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126857410
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCC(C)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C10H14N2O/c1-7(2)12-10(13)6-8-4-3-5-9(8)11-12/h6-7H,3-5H2,1-2H3
InChIKeyJVRQPXADKAJUFO-UHFFFAOYSA-N
XLogP1.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126857410) is 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is CC(C)n1nc2c(cc1=O)CCC2.
What is the InChIKey of 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is JVRQPXADKAJUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(2)12-10(13)6-8-4-3-5-9(8)11-12/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 178.23 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126857410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).