3,4-dihydrobenzo[e]indazol-5-one

C11H8N2O — CID 124928171

IUPAC3,4-dihydrobenzo[e]indazol-5-one
SMILESO=C1Cc2[nH]ncc2-c2ccccc21
InChIInChI=1S/C11H8N2O/c14-11-5-10-9(6-12-13-10)7-3-1-2-4-8(7)11/h1-4,6H,5H2,(H,12,13)
InChIKeyWTRAWSPUGLBIHH-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.82
Rot. Bonds

About 3,4-dihydrobenzo[e]indazol-5-one

3,4-dihydrobenzo[e]indazol-5-one (PubChem CID 124928171) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 3,4-dihydrobenzo[e]indazol-5-one.

Molecular Properties

Compound Name3,4-dihydrobenzo[e]indazol-5-one
PubChem CID124928171
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name3,4-dihydrobenzo[e]indazol-5-one
SMILESO=C1Cc2[nH]ncc2-c2ccccc21
InChIInChI=1S/C11H8N2O/c14-11-5-10-9(6-12-13-10)7-3-1-2-4-8(7)11/h1-4,6H,5H2,(H,12,13)
InChIKeyWTRAWSPUGLBIHH-UHFFFAOYSA-N
XLogP1.82
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydrobenzo[e]indazol-5-one?
The IUPAC name of 3,4-dihydrobenzo[e]indazol-5-one (CID 124928171) is 3,4-dihydrobenzo[e]indazol-5-one.
What is the SMILES notation for 3,4-dihydrobenzo[e]indazol-5-one?
The canonical SMILES for 3,4-dihydrobenzo[e]indazol-5-one is O=C1Cc2[nH]ncc2-c2ccccc21.
What is the InChIKey of 3,4-dihydrobenzo[e]indazol-5-one?
The InChIKey is WTRAWSPUGLBIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-11-5-10-9(6-12-13-10)7-3-1-2-4-8(7)11/h1-4,6H,5H2,(H,12,13).
What are the key properties of 3,4-dihydrobenzo[e]indazol-5-one?
3,4-dihydrobenzo[e]indazol-5-one has a molecular weight of 184.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydrobenzo[e]indazol-5-one is sourced from PubChem (CID 124928171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).