(3aR)-2,4,7-trimethyl-1,3,3a,8b-tetrahydropyrrolo[3,4-b]indole

C13H18N2 — CID 143637572

IUPAC(3aR)-2,4,7-trimethyl-1,3,3a,8b-tetrahydropyrrolo[3,4-b]indole
SMILESCc1ccc2c(c1)C1CN(C)C[C@@H]1N2C
InChIInChI=1S/C13H18N2/c1-9-4-5-12-10(6-9)11-7-14(2)8-13(11)15(12)3/h4-6,11,13H,7-8H2,1-3H3/t11?,13-/m0/s1
InChIKeyTZOISZOQFYWJQA-YUZLPWPTSA-N
MW202.30 g/mol
LogP1.84
Rot. Bonds

About (3aR)-2,4,7-trimethyl-1,3,3a,8b-tetrahydropyrrolo[3,4-b]indole

(3aR)-2,4,7-trimethyl-1,3,3a,8b-tetrahydropyrrolo[3,4-b]indole (PubChem CID 143637572) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (3aR)-2,4,7-trimethyl-1,3,3a,8b-tetrahydropyrrolo[3,4-b]indole.

Molecular Properties

Compound Name(3aR)-2,4,7-trimethyl-1,3,3a,8b-tetrahydropyrrolo[3,4-b]indole
PubChem CID143637572
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(3aR)-2,4,7-trimethyl-1,3,3a,8b-tetrahydropyrrolo[3,4-b]indole
SMILESCc1ccc2c(c1)C1CN(C)C[C@@H]1N2C
InChIInChI=1S/C13H18N2/c1-9-4-5-12-10(6-9)11-7-14(2)8-13(11)15(12)3/h4-6,11,13H,7-8H2,1-3H3/t11?,13-/m0/s1
InChIKeyTZOISZOQFYWJQA-YUZLPWPTSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR)-2,4,7-trimethyl-1,3,3a,8b-tetrahydropyrrolo[3,4-b]indole?
The IUPAC name of (3aR)-2,4,7-trimethyl-1,3,3a,8b-tetrahydropyrrolo[3,4-b]indole (CID 143637572) is (3aR)-2,4,7-trimethyl-1,3,3a,8b-tetrahydropyrrolo[3,4-b]indole.
What is the SMILES notation for (3aR)-2,4,7-trimethyl-1,3,3a,8b-tetrahydropyrrolo[3,4-b]indole?
The canonical SMILES for (3aR)-2,4,7-trimethyl-1,3,3a,8b-tetrahydropyrrolo[3,4-b]indole is Cc1ccc2c(c1)C1CN(C)C[C@@H]1N2C.
What is the InChIKey of (3aR)-2,4,7-trimethyl-1,3,3a,8b-tetrahydropyrrolo[3,4-b]indole?
The InChIKey is TZOISZOQFYWJQA-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-4-5-12-10(6-9)11-7-14(2)8-13(11)15(12)3/h4-6,11,13H,7-8H2,1-3H3/t11?,13-/m0/s1.
What are the key properties of (3aR)-2,4,7-trimethyl-1,3,3a,8b-tetrahydropyrrolo[3,4-b]indole?
(3aR)-2,4,7-trimethyl-1,3,3a,8b-tetrahydropyrrolo[3,4-b]indole has a molecular weight of 202.30 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-2,4,7-trimethyl-1,3,3a,8b-tetrahydropyrrolo[3,4-b]indole is sourced from PubChem (CID 143637572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).