1-chloro-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one

C8H9ClN2O — CID 118928827

IUPAC1-chloro-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
SMILESCn1nc(Cl)c2c(c1=O)CCC2
InChIInChI=1S/C8H9ClN2O/c1-11-8(12)6-4-2-3-5(6)7(9)10-11/h2-4H2,1H3
InChIKeyIOXBEXDRRSUMMO-UHFFFAOYSA-N
MW184.63 g/mol
LogP0.92
Rot. Bonds

About 1-chloro-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one

1-chloro-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one (PubChem CID 118928827) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 1-chloro-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one.

Molecular Properties

Compound Name1-chloro-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
PubChem CID118928827
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name1-chloro-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
SMILESCn1nc(Cl)c2c(c1=O)CCC2
InChIInChI=1S/C8H9ClN2O/c1-11-8(12)6-4-2-3-5(6)7(9)10-11/h2-4H2,1H3
InChIKeyIOXBEXDRRSUMMO-UHFFFAOYSA-N
XLogP0.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one?
The IUPAC name of 1-chloro-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one (CID 118928827) is 1-chloro-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one.
What is the SMILES notation for 1-chloro-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one?
The canonical SMILES for 1-chloro-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one is Cn1nc(Cl)c2c(c1=O)CCC2.
What is the InChIKey of 1-chloro-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one?
The InChIKey is IOXBEXDRRSUMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-11-8(12)6-4-2-3-5(6)7(9)10-11/h2-4H2,1H3.
What are the key properties of 1-chloro-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one?
1-chloro-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one has a molecular weight of 184.63 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one is sourced from PubChem (CID 118928827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).