2,3,3a,5a-tetrahydro-1H-benzo[g]indole

C12H13N — CID 22268693

IUPAC2,3,3a,5a-tetrahydro-1H-benzo[g]indole
SMILESC1=CC2=C3NCCC3C=CC2C=C1
InChIInChI=1S/C12H13N/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-6,9-10,13H,7-8H2
InChIKeyYGWJTKWCJGNQHU-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.16
Rot. Bonds

About 2,3,3a,5a-tetrahydro-1H-benzo[g]indole

2,3,3a,5a-tetrahydro-1H-benzo[g]indole (PubChem CID 22268693) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 2,3,3a,5a-tetrahydro-1H-benzo[g]indole.

Molecular Properties

Compound Name2,3,3a,5a-tetrahydro-1H-benzo[g]indole
PubChem CID22268693
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name2,3,3a,5a-tetrahydro-1H-benzo[g]indole
SMILESC1=CC2=C3NCCC3C=CC2C=C1
InChIInChI=1S/C12H13N/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-6,9-10,13H,7-8H2
InChIKeyYGWJTKWCJGNQHU-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,5a-tetrahydro-1H-benzo[g]indole?
The IUPAC name of 2,3,3a,5a-tetrahydro-1H-benzo[g]indole (CID 22268693) is 2,3,3a,5a-tetrahydro-1H-benzo[g]indole.
What is the SMILES notation for 2,3,3a,5a-tetrahydro-1H-benzo[g]indole?
The canonical SMILES for 2,3,3a,5a-tetrahydro-1H-benzo[g]indole is C1=CC2=C3NCCC3C=CC2C=C1.
What is the InChIKey of 2,3,3a,5a-tetrahydro-1H-benzo[g]indole?
The InChIKey is YGWJTKWCJGNQHU-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/h1-6,9-10,13H,7-8H2.
What are the key properties of 2,3,3a,5a-tetrahydro-1H-benzo[g]indole?
2,3,3a,5a-tetrahydro-1H-benzo[g]indole has a molecular weight of 171.24 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,5a-tetrahydro-1H-benzo[g]indole is sourced from PubChem (CID 22268693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).