4-methyl-6,7,8,8a-tetrahydrocyclopenta[b]indole

C12H13N — CID 149334435

IUPAC4-methyl-6,7,8,8a-tetrahydrocyclopenta[b]indole
SMILESCN1C2=CCCCC2C2=C1C=C=C2
InChIInChI=1S/C12H13N/c1-13-11-7-3-2-5-9(11)10-6-4-8-12(10)13/h6-9H,2-3,5H2,1H3
InChIKeyYCYMUBDZMJEZRY-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.59
Rot. Bonds

About 4-methyl-6,7,8,8a-tetrahydrocyclopenta[b]indole

4-methyl-6,7,8,8a-tetrahydrocyclopenta[b]indole (PubChem CID 149334435) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-methyl-6,7,8,8a-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Name4-methyl-6,7,8,8a-tetrahydrocyclopenta[b]indole
PubChem CID149334435
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name4-methyl-6,7,8,8a-tetrahydrocyclopenta[b]indole
SMILESCN1C2=CCCCC2C2=C1C=C=C2
InChIInChI=1S/C12H13N/c1-13-11-7-3-2-5-9(11)10-6-4-8-12(10)13/h6-9H,2-3,5H2,1H3
InChIKeyYCYMUBDZMJEZRY-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 91296247
1-(2,6,7,7a-tetrahydro-1H-inden-5-yl)pyrrolidine
CID 15032311
1,4-Dimethyl-2,3,4,5-tetrahydrocyclopenta[b]pyridine
CID 58449484
1-methyl-3,3a,4,4a,5,6-hexahydro-2H-indeno[1,2-b]pyrrole
CID 70061290
3,9-Dimethyl-3,4,4b,5-tetrahydrocarbazole
CID 123190936
N,N,4-trimethyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine
CID 123541755
1,3-Dimethyl-2,3,4,5-tetrahydroindole
CID 129044202
6-Methyl-3a,10,10a,10c-tetrahydrocyclopenta[c]carbazole
CID 132078559
2-Cyclohexyl-1,4-dimethyl-6-methylidenepyridine
CID 135191541
1-butyl-N-(1-cyclopenta-1,4-dien-1-ylethenyl)-6-ethyl-N-methyl-2-propyl-2,3,4,5-tetrahydroinden-1-amine
CID 135244207
(2Z,5Z)-2-ethylidene-4-methylidene-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-3-azabicyclo[6.3.1]dodeca-1(11),5,9-triene
CID 138726448

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6,7,8,8a-tetrahydrocyclopenta[b]indole?
The IUPAC name of 4-methyl-6,7,8,8a-tetrahydrocyclopenta[b]indole (CID 149334435) is 4-methyl-6,7,8,8a-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for 4-methyl-6,7,8,8a-tetrahydrocyclopenta[b]indole?
The canonical SMILES for 4-methyl-6,7,8,8a-tetrahydrocyclopenta[b]indole is CN1C2=CCCCC2C2=C1C=C=C2.
What is the InChIKey of 4-methyl-6,7,8,8a-tetrahydrocyclopenta[b]indole?
The InChIKey is YCYMUBDZMJEZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-13-11-7-3-2-5-9(11)10-6-4-8-12(10)13/h6-9H,2-3,5H2,1H3.
What are the key properties of 4-methyl-6,7,8,8a-tetrahydrocyclopenta[b]indole?
4-methyl-6,7,8,8a-tetrahydrocyclopenta[b]indole has a molecular weight of 171.24 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6,7,8,8a-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 149334435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).