1,2,4,5,6,8b-hexahydrocyclopenta[e]indole

C11H13N — CID 57292590

IUPAC1,2,4,5,6,8b-hexahydrocyclopenta[e]indole
SMILESC1=CC2=C(C1)CCC1=NCCC12
InChIInChI=1S/C11H13N/c1-2-8-4-5-11-10(6-7-12-11)9(8)3-1/h1,3,10H,2,4-7H2
InChIKeyWDJKUYJSQKWEBC-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.50
Rot. Bonds

About 1,2,4,5,6,8b-hexahydrocyclopenta[e]indole

1,2,4,5,6,8b-hexahydrocyclopenta[e]indole (PubChem CID 57292590) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 1,2,4,5,6,8b-hexahydrocyclopenta[e]indole.

Molecular Properties

Compound Name1,2,4,5,6,8b-hexahydrocyclopenta[e]indole
PubChem CID57292590
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name1,2,4,5,6,8b-hexahydrocyclopenta[e]indole
SMILESC1=CC2=C(C1)CCC1=NCCC12
InChIInChI=1S/C11H13N/c1-2-8-4-5-11-10(6-7-12-11)9(8)3-1/h1,3,10H,2,4-7H2
InChIKeyWDJKUYJSQKWEBC-UHFFFAOYSA-N
XLogP2.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 6445873
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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
5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
CID 162980508
5-[(1R,6S)-7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl]-3,4-dihydro-2H-pyrrole
CID 15939420
3,3a,4,5-tetrahydro-2H-indole
CID 53636670
6-Cyclohept-4-en-1-yl-2,3,4,5-tetrahydropyridine
CID 53724743
3,3a,4,4a,8a,9-hexahydro-2H-benzo[f]indole
CID 54099942
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CID 54265109

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,6,8b-hexahydrocyclopenta[e]indole?
The IUPAC name of 1,2,4,5,6,8b-hexahydrocyclopenta[e]indole (CID 57292590) is 1,2,4,5,6,8b-hexahydrocyclopenta[e]indole.
What is the SMILES notation for 1,2,4,5,6,8b-hexahydrocyclopenta[e]indole?
The canonical SMILES for 1,2,4,5,6,8b-hexahydrocyclopenta[e]indole is C1=CC2=C(C1)CCC1=NCCC12.
What is the InChIKey of 1,2,4,5,6,8b-hexahydrocyclopenta[e]indole?
The InChIKey is WDJKUYJSQKWEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-8-4-5-11-10(6-7-12-11)9(8)3-1/h1,3,10H,2,4-7H2.
What are the key properties of 1,2,4,5,6,8b-hexahydrocyclopenta[e]indole?
1,2,4,5,6,8b-hexahydrocyclopenta[e]indole has a molecular weight of 159.23 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,6,8b-hexahydrocyclopenta[e]indole is sourced from PubChem (CID 57292590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).