4-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-1-one

C10H14N2O — CID 134286605

IUPAC4-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-1-one
SMILESCC(C)c1n[nH]c(=O)c2c1CCC2
InChIInChI=1S/C10H14N2O/c1-6(2)9-7-4-3-5-8(7)10(13)12-11-9/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyRGWCJPSKUOKNPM-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.38
Rot. Bonds1

About 4-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-1-one

4-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-1-one (PubChem CID 134286605) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-1-one.

Molecular Properties

Compound Name4-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-1-one
PubChem CID134286605
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name4-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-1-one
SMILESCC(C)c1n[nH]c(=O)c2c1CCC2
InChIInChI=1S/C10H14N2O/c1-6(2)9-7-4-3-5-8(7)10(13)12-11-9/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyRGWCJPSKUOKNPM-UHFFFAOYSA-N
XLogP1.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-1-one?
The IUPAC name of 4-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-1-one (CID 134286605) is 4-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-1-one.
What is the SMILES notation for 4-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-1-one?
The canonical SMILES for 4-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-1-one is CC(C)c1n[nH]c(=O)c2c1CCC2.
What is the InChIKey of 4-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-1-one?
The InChIKey is RGWCJPSKUOKNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-6(2)9-7-4-3-5-8(7)10(13)12-11-9/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-1-one?
4-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-1-one has a molecular weight of 178.23 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-1-one is sourced from PubChem (CID 134286605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).