8-methyl-1,2,3,6-tetrahydropyrrolo[2,3-e]indole

C11H12N2 — CID 96630858

IUPAC8-methyl-1,2,3,6-tetrahydropyrrolo[2,3-e]indole
SMILESCc1c[nH]c2ccc3c(c12)NCC3
InChIInChI=1S/C11H12N2/c1-7-6-13-9-3-2-8-4-5-12-11(8)10(7)9/h2-3,6,12-13H,4-5H2,1H3
InChIKeyPKSDNMZNKZISPL-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.44
Rot. Bonds

About 8-methyl-1,2,3,6-tetrahydropyrrolo[2,3-e]indole

8-methyl-1,2,3,6-tetrahydropyrrolo[2,3-e]indole (PubChem CID 96630858) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 8-methyl-1,2,3,6-tetrahydropyrrolo[2,3-e]indole.

Molecular Properties

Compound Name8-methyl-1,2,3,6-tetrahydropyrrolo[2,3-e]indole
PubChem CID96630858
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name8-methyl-1,2,3,6-tetrahydropyrrolo[2,3-e]indole
SMILESCc1c[nH]c2ccc3c(c12)NCC3
InChIInChI=1S/C11H12N2/c1-7-6-13-9-3-2-8-4-5-12-11(8)10(7)9/h2-3,6,12-13H,4-5H2,1H3
InChIKeyPKSDNMZNKZISPL-UHFFFAOYSA-N
XLogP2.44
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole
CID 145326202
8-methyl-3,6-dihydro-1H-pyrrolo[2,3-e]indol-2-one
CID 129225319
6,7-dimethyl-2,3-dihydro-1H-indole
CID 16792444
2-methyl-3,6,7,8-tetrahydropyrrolo[2,3-e]benzimidazole
CID 89393480
6-methyl-2,3-dihydro-1H-indol-7-ol
CID 84649314
1-methyl-7,8-dihydro-3H-cyclopenta[e]indol-6-one
CID 129225328
4,18-diazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),3(7),8,11,13,15(19),16-octaene
CID 151064001
5-bromo-4-chloro-3-methyl-1H-indole
CID 58220952
ethane;7-fluoro-2,3-dihydro-1H-indole
CID 171527172
3,4-dimethyl-1H-indole;ethane
CID 143293593
4-iodo-3-methyl-1H-indole
CID 126755505
8,9-dihydro-7H-pyrrolo[2,3-f]quinoxaline
CID 59469621

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,2,3,6-tetrahydropyrrolo[2,3-e]indole?
The IUPAC name of 8-methyl-1,2,3,6-tetrahydropyrrolo[2,3-e]indole (CID 96630858) is 8-methyl-1,2,3,6-tetrahydropyrrolo[2,3-e]indole.
What is the SMILES notation for 8-methyl-1,2,3,6-tetrahydropyrrolo[2,3-e]indole?
The canonical SMILES for 8-methyl-1,2,3,6-tetrahydropyrrolo[2,3-e]indole is Cc1c[nH]c2ccc3c(c12)NCC3.
What is the InChIKey of 8-methyl-1,2,3,6-tetrahydropyrrolo[2,3-e]indole?
The InChIKey is PKSDNMZNKZISPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-7-6-13-9-3-2-8-4-5-12-11(8)10(7)9/h2-3,6,12-13H,4-5H2,1H3.
What are the key properties of 8-methyl-1,2,3,6-tetrahydropyrrolo[2,3-e]indole?
8-methyl-1,2,3,6-tetrahydropyrrolo[2,3-e]indole has a molecular weight of 172.23 g/mol, XLogP of 2.44, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,2,3,6-tetrahydropyrrolo[2,3-e]indole is sourced from PubChem (CID 96630858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).