2,3,3a,4-tetrahydro-1H-benzo[g]indole

C12H13N — CID 87369041

IUPAC2,3,3a,4-tetrahydro-1H-benzo[g]indole
SMILESC1=c2ccccc2=C2NCCC2C1
InChIInChI=1S/C12H13N/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-5,10,13H,6-8H2
InChIKeyGHDKZRYOSSRTLA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.59
Rot. Bonds

About 2,3,3a,4-tetrahydro-1H-benzo[g]indole

2,3,3a,4-tetrahydro-1H-benzo[g]indole (PubChem CID 87369041) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-benzo[g]indole.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-benzo[g]indole
PubChem CID87369041
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name2,3,3a,4-tetrahydro-1H-benzo[g]indole
SMILESC1=c2ccccc2=C2NCCC2C1
InChIInChI=1S/C12H13N/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-5,10,13H,6-8H2
InChIKeyGHDKZRYOSSRTLA-UHFFFAOYSA-N
XLogP0.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-benzo[g]indole?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-benzo[g]indole (CID 87369041) is 2,3,3a,4-tetrahydro-1H-benzo[g]indole.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-benzo[g]indole?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-benzo[g]indole is C1=c2ccccc2=C2NCCC2C1.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-benzo[g]indole?
The InChIKey is GHDKZRYOSSRTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-5,10,13H,6-8H2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-benzo[g]indole?
2,3,3a,4-tetrahydro-1H-benzo[g]indole has a molecular weight of 171.24 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-benzo[g]indole is sourced from PubChem (CID 87369041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).