2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one

C11H12N2O2 — CID 166632413

IUPAC2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(C(=O)C3CC3)cc21
InChIInChI=1S/C11H12N2O2/c14-10-3-1-2-9-8(10)6-13(12-9)11(15)7-4-5-7/h6-7H,1-5H2
InChIKeyGKDODFNEXITXEL-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.45
Rot. Bonds1

About 2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one

2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 166632413) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID166632413
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(C(=O)C3CC3)cc21
InChIInChI=1S/C11H12N2O2/c14-10-3-1-2-9-8(10)6-13(12-9)11(15)7-4-5-7/h6-7H,1-5H2
InChIKeyGKDODFNEXITXEL-UHFFFAOYSA-N
XLogP1.45
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one (CID 166632413) is 2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one is O=C1CCCc2nn(C(=O)C3CC3)cc21.
What is the InChIKey of 2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is GKDODFNEXITXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-10-3-1-2-9-8(10)6-13(12-9)11(15)7-4-5-7/h6-7H,1-5H2.
What are the key properties of 2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one?
2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 204.23 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 166632413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).