6,7,8,9-tetrahydro-3H-benzo[e]indazol-4-ylmethanol

C12H14N2O — CID 140857297

IUPAC6,7,8,9-tetrahydro-3H-benzo[e]indazol-4-ylmethanol
SMILESOCc1cc2c(c3cn[nH]c13)CCCC2
InChIInChI=1S/C12H14N2O/c15-7-9-5-8-3-1-2-4-10(8)11-6-13-14-12(9)11/h5-6,15H,1-4,7H2,(H,13,14)
InChIKeyDUUDJDSWGDXWPO-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.93
Rot. Bonds1

About 6,7,8,9-tetrahydro-3H-benzo[e]indazol-4-ylmethanol

6,7,8,9-tetrahydro-3H-benzo[e]indazol-4-ylmethanol (PubChem CID 140857297) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-3H-benzo[e]indazol-4-ylmethanol.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-3H-benzo[e]indazol-4-ylmethanol
PubChem CID140857297
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name6,7,8,9-tetrahydro-3H-benzo[e]indazol-4-ylmethanol
SMILESOCc1cc2c(c3cn[nH]c13)CCCC2
InChIInChI=1S/C12H14N2O/c15-7-9-5-8-3-1-2-4-10(8)11-6-13-14-12(9)11/h5-6,15H,1-4,7H2,(H,13,14)
InChIKeyDUUDJDSWGDXWPO-UHFFFAOYSA-N
XLogP1.93
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-3H-benzo[e]indazol-4-ylmethanol?
The IUPAC name of 6,7,8,9-tetrahydro-3H-benzo[e]indazol-4-ylmethanol (CID 140857297) is 6,7,8,9-tetrahydro-3H-benzo[e]indazol-4-ylmethanol.
What is the SMILES notation for 6,7,8,9-tetrahydro-3H-benzo[e]indazol-4-ylmethanol?
The canonical SMILES for 6,7,8,9-tetrahydro-3H-benzo[e]indazol-4-ylmethanol is OCc1cc2c(c3cn[nH]c13)CCCC2.
What is the InChIKey of 6,7,8,9-tetrahydro-3H-benzo[e]indazol-4-ylmethanol?
The InChIKey is DUUDJDSWGDXWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c15-7-9-5-8-3-1-2-4-10(8)11-6-13-14-12(9)11/h5-6,15H,1-4,7H2,(H,13,14).
What are the key properties of 6,7,8,9-tetrahydro-3H-benzo[e]indazol-4-ylmethanol?
6,7,8,9-tetrahydro-3H-benzo[e]indazol-4-ylmethanol has a molecular weight of 202.26 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-3H-benzo[e]indazol-4-ylmethanol is sourced from PubChem (CID 140857297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).