4-propan-2-yl-2,7a-dihydrocyclopenta[d]pyridazin-1-one

C10H12N2O — CID 134578028

IUPAC4-propan-2-yl-2,7a-dihydrocyclopenta[d]pyridazin-1-one
SMILESCC(C)C1=NNC(=O)C2C=CC=C12
InChIInChI=1S/C10H12N2O/c1-6(2)9-7-4-3-5-8(7)10(13)12-11-9/h3-6,8H,1-2H3,(H,12,13)
InChIKeyFCACTRRRSZZPKF-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.24
Rot. Bonds1

About 4-propan-2-yl-2,7a-dihydrocyclopenta[d]pyridazin-1-one

4-propan-2-yl-2,7a-dihydrocyclopenta[d]pyridazin-1-one (PubChem CID 134578028) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-propan-2-yl-2,7a-dihydrocyclopenta[d]pyridazin-1-one.

Molecular Properties

Compound Name4-propan-2-yl-2,7a-dihydrocyclopenta[d]pyridazin-1-one
PubChem CID134578028
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-propan-2-yl-2,7a-dihydrocyclopenta[d]pyridazin-1-one
SMILESCC(C)C1=NNC(=O)C2C=CC=C12
InChIInChI=1S/C10H12N2O/c1-6(2)9-7-4-3-5-8(7)10(13)12-11-9/h3-6,8H,1-2H3,(H,12,13)
InChIKeyFCACTRRRSZZPKF-UHFFFAOYSA-N
XLogP1.24
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.24
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-2,7a-dihydrocyclopenta[d]pyridazin-1-one?
The IUPAC name of 4-propan-2-yl-2,7a-dihydrocyclopenta[d]pyridazin-1-one (CID 134578028) is 4-propan-2-yl-2,7a-dihydrocyclopenta[d]pyridazin-1-one.
What is the SMILES notation for 4-propan-2-yl-2,7a-dihydrocyclopenta[d]pyridazin-1-one?
The canonical SMILES for 4-propan-2-yl-2,7a-dihydrocyclopenta[d]pyridazin-1-one is CC(C)C1=NNC(=O)C2C=CC=C12.
What is the InChIKey of 4-propan-2-yl-2,7a-dihydrocyclopenta[d]pyridazin-1-one?
The InChIKey is FCACTRRRSZZPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6(2)9-7-4-3-5-8(7)10(13)12-11-9/h3-6,8H,1-2H3,(H,12,13).
What are the key properties of 4-propan-2-yl-2,7a-dihydrocyclopenta[d]pyridazin-1-one?
4-propan-2-yl-2,7a-dihydrocyclopenta[d]pyridazin-1-one has a molecular weight of 176.22 g/mol, XLogP of 1.24, 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-2,7a-dihydrocyclopenta[d]pyridazin-1-one is sourced from PubChem (CID 134578028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).