2,2a,8,9-tetrahydrobenzo[cd]indole

C11H11N — CID 57214759

IUPAC2,2a,8,9-tetrahydrobenzo[cd]indole
SMILESC1=CC2CN=C3CC=CC(=C1)C32
InChIInChI=1S/C11H11N/c1-3-8-4-2-6-10-11(8)9(5-1)7-12-10/h1-5,9,11H,6-7H2
InChIKeyXRWXZLDHEYBYGN-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.13
Rot. Bonds

About 2,2a,8,9-tetrahydrobenzo[cd]indole

2,2a,8,9-tetrahydrobenzo[cd]indole (PubChem CID 57214759) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 2,2a,8,9-tetrahydrobenzo[cd]indole.

Molecular Properties

Compound Name2,2a,8,9-tetrahydrobenzo[cd]indole
PubChem CID57214759
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name2,2a,8,9-tetrahydrobenzo[cd]indole
SMILESC1=CC2CN=C3CC=CC(=C1)C32
InChIInChI=1S/C11H11N/c1-3-8-4-2-6-10-11(8)9(5-1)7-12-10/h1-5,9,11H,6-7H2
InChIKeyXRWXZLDHEYBYGN-UHFFFAOYSA-N
XLogP2.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene
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3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine
CID 164669517
7-(Trifluoromethyl)-2,3,4,4a-tetrahydroquinoline
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(3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 10965517
2,3,3-Trimethyl-3a,7a-dihydroindole
CID 17797756
2,3,4,4a-Tetrahydroquinoline
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3-ethenyl-4,5,6-trimethyl-3a,7a-dihydro-1H-isoindole
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CID 53636670

Frequently Asked Questions

What is the IUPAC name of 2,2a,8,9-tetrahydrobenzo[cd]indole?
The IUPAC name of 2,2a,8,9-tetrahydrobenzo[cd]indole (CID 57214759) is 2,2a,8,9-tetrahydrobenzo[cd]indole.
What is the SMILES notation for 2,2a,8,9-tetrahydrobenzo[cd]indole?
The canonical SMILES for 2,2a,8,9-tetrahydrobenzo[cd]indole is C1=CC2CN=C3CC=CC(=C1)C32.
What is the InChIKey of 2,2a,8,9-tetrahydrobenzo[cd]indole?
The InChIKey is XRWXZLDHEYBYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-3-8-4-2-6-10-11(8)9(5-1)7-12-10/h1-5,9,11H,6-7H2.
What are the key properties of 2,2a,8,9-tetrahydrobenzo[cd]indole?
2,2a,8,9-tetrahydrobenzo[cd]indole has a molecular weight of 157.22 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2a,8,9-tetrahydrobenzo[cd]indole is sourced from PubChem (CID 57214759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).