7-methoxy-4,5-dihydro-1H-benzo[g]indole

C13H13NO — CID 10535996

IUPAC7-methoxy-4,5-dihydro-1H-benzo[g]indole
SMILESCOc1ccc2c(c1)CCc1cc[nH]c1-2
InChIInChI=1S/C13H13NO/c1-15-11-4-5-12-10(8-11)3-2-9-6-7-14-13(9)12/h4-8,14H,2-3H2,1H3
InChIKeyUBXTVGQPYADRNL-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.79
Rot. Bonds1

About 7-methoxy-4,5-dihydro-1H-benzo[g]indole

7-methoxy-4,5-dihydro-1H-benzo[g]indole (PubChem CID 10535996) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 7-methoxy-4,5-dihydro-1H-benzo[g]indole.

Molecular Properties

Compound Name7-methoxy-4,5-dihydro-1H-benzo[g]indole
PubChem CID10535996
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name7-methoxy-4,5-dihydro-1H-benzo[g]indole
SMILESCOc1ccc2c(c1)CCc1cc[nH]c1-2
InChIInChI=1S/C13H13NO/c1-15-11-4-5-12-10(8-11)3-2-9-6-7-14-13(9)12/h4-8,14H,2-3H2,1H3
InChIKeyUBXTVGQPYADRNL-UHFFFAOYSA-N
XLogP2.79
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4,5-dihydro-1H-benzo[g]indole?
The IUPAC name of 7-methoxy-4,5-dihydro-1H-benzo[g]indole (CID 10535996) is 7-methoxy-4,5-dihydro-1H-benzo[g]indole.
What is the SMILES notation for 7-methoxy-4,5-dihydro-1H-benzo[g]indole?
The canonical SMILES for 7-methoxy-4,5-dihydro-1H-benzo[g]indole is COc1ccc2c(c1)CCc1cc[nH]c1-2.
What is the InChIKey of 7-methoxy-4,5-dihydro-1H-benzo[g]indole?
The InChIKey is UBXTVGQPYADRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-15-11-4-5-12-10(8-11)3-2-9-6-7-14-13(9)12/h4-8,14H,2-3H2,1H3.
What are the key properties of 7-methoxy-4,5-dihydro-1H-benzo[g]indole?
7-methoxy-4,5-dihydro-1H-benzo[g]indole has a molecular weight of 199.25 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4,5-dihydro-1H-benzo[g]indole is sourced from PubChem (CID 10535996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).