1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole

C14H17N — CID 135213343

IUPAC1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole
SMILESCC1CC(C)(C)c2c1[nH]c1ccccc21
InChIInChI=1S/C14H17N/c1-9-8-14(2,3)12-10-6-4-5-7-11(10)15-13(9)12/h4-7,9,15H,8H2,1-3H3
InChIKeyARMNQQLAKGNYRJ-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.95
Rot. Bonds

About 1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole

1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole (PubChem CID 135213343) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole.

Molecular Properties

Compound Name1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole
PubChem CID135213343
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole
SMILESCC1CC(C)(C)c2c1[nH]c1ccccc21
InChIInChI=1S/C14H17N/c1-9-8-14(2,3)12-10-6-4-5-7-11(10)15-13(9)12/h4-7,9,15H,8H2,1-3H3
InChIKeyARMNQQLAKGNYRJ-UHFFFAOYSA-N
XLogP3.95
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole?
The IUPAC name of 1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole (CID 135213343) is 1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole.
What is the SMILES notation for 1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole?
The canonical SMILES for 1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole is CC1CC(C)(C)c2c1[nH]c1ccccc21.
What is the InChIKey of 1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole?
The InChIKey is ARMNQQLAKGNYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-9-8-14(2,3)12-10-6-4-5-7-11(10)15-13(9)12/h4-7,9,15H,8H2,1-3H3.
What are the key properties of 1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole?
1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole has a molecular weight of 199.30 g/mol, XLogP of 3.95, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole is sourced from PubChem (CID 135213343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).