3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

C13H18N2 — CID 13000841

IUPAC3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCN1CCC2(C)c3ccccc3N(C)C12
InChIInChI=1S/C13H18N2/c1-13-8-9-14(2)12(13)15(3)11-7-5-4-6-10(11)13/h4-7,12H,8-9H2,1-3H3
InChIKeyKLJZEHNRALYISE-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.06
Rot. Bonds

About 3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (PubChem CID 13000841) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.

Molecular Properties

Compound Name3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
PubChem CID13000841
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCN1CCC2(C)c3ccccc3N(C)C12
InChIInChI=1S/C13H18N2/c1-13-8-9-14(2)12(13)15(3)11-7-5-4-6-10(11)13/h4-7,12H,8-9H2,1-3H3
InChIKeyKLJZEHNRALYISE-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The IUPAC name of 3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (CID 13000841) is 3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.
What is the SMILES notation for 3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The canonical SMILES for 3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is CN1CCC2(C)c3ccccc3N(C)C12.
What is the InChIKey of 3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The InChIKey is KLJZEHNRALYISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-13-8-9-14(2)12(13)15(3)11-7-5-4-6-10(11)13/h4-7,12H,8-9H2,1-3H3.
What are the key properties of 3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole has a molecular weight of 202.30 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is sourced from PubChem (CID 13000841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).