1,2,2a,9-tetrahydrobenzo[cd]indole

C11H11N — CID 18922709

IUPAC1,2,2a,9-tetrahydrobenzo[cd]indole
SMILESC1=CC2=CC=CC3CNC(=C1)C23
InChIInChI=1S/C11H11N/c1-3-8-4-2-6-10-11(8)9(5-1)7-12-10/h1-6,9,11-12H,7H2
InChIKeyGDRRDTZNIUWRQA-UHFFFAOYSA-N
MW157.22 g/mol
LogP1.77
Rot. Bonds

About 1,2,2a,9-tetrahydrobenzo[cd]indole

1,2,2a,9-tetrahydrobenzo[cd]indole (PubChem CID 18922709) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 1,2,2a,9-tetrahydrobenzo[cd]indole.

Molecular Properties

Compound Name1,2,2a,9-tetrahydrobenzo[cd]indole
PubChem CID18922709
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name1,2,2a,9-tetrahydrobenzo[cd]indole
SMILESC1=CC2=CC=CC3CNC(=C1)C23
InChIInChI=1S/C11H11N/c1-3-8-4-2-6-10-11(8)9(5-1)7-12-10/h1-6,9,11-12H,7H2
InChIKeyGDRRDTZNIUWRQA-UHFFFAOYSA-N
XLogP1.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2a,9-tetrahydrobenzo[cd]indole?
The IUPAC name of 1,2,2a,9-tetrahydrobenzo[cd]indole (CID 18922709) is 1,2,2a,9-tetrahydrobenzo[cd]indole.
What is the SMILES notation for 1,2,2a,9-tetrahydrobenzo[cd]indole?
The canonical SMILES for 1,2,2a,9-tetrahydrobenzo[cd]indole is C1=CC2=CC=CC3CNC(=C1)C23.
What is the InChIKey of 1,2,2a,9-tetrahydrobenzo[cd]indole?
The InChIKey is GDRRDTZNIUWRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-3-8-4-2-6-10-11(8)9(5-1)7-12-10/h1-6,9,11-12H,7H2.
What are the key properties of 1,2,2a,9-tetrahydrobenzo[cd]indole?
1,2,2a,9-tetrahydrobenzo[cd]indole has a molecular weight of 157.22 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2a,9-tetrahydrobenzo[cd]indole is sourced from PubChem (CID 18922709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).