(3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole

C12H15N — CID 129305590

IUPAC(3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole
SMILESC[C@@]12CCCN1c1ccccc1C2
InChIInChI=1S/C12H15N/c1-12-7-4-8-13(12)11-6-3-2-5-10(11)9-12/h2-3,5-6H,4,7-9H2,1H3/t12-/m0/s1
InChIKeyZMPQBPRZBYFGJT-LBPRGKRZSA-N
MW173.26 g/mol
LogP2.60
Rot. Bonds

About (3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole

(3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole (PubChem CID 129305590) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole.

Molecular Properties

Compound Name(3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole
PubChem CID129305590
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole
SMILESC[C@@]12CCCN1c1ccccc1C2
InChIInChI=1S/C12H15N/c1-12-7-4-8-13(12)11-6-3-2-5-10(11)9-12/h2-3,5-6H,4,7-9H2,1H3/t12-/m0/s1
InChIKeyZMPQBPRZBYFGJT-LBPRGKRZSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole?
The IUPAC name of (3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole (CID 129305590) is (3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole.
What is the SMILES notation for (3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole?
The canonical SMILES for (3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole is C[C@@]12CCCN1c1ccccc1C2.
What is the InChIKey of (3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole?
The InChIKey is ZMPQBPRZBYFGJT-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15N/c1-12-7-4-8-13(12)11-6-3-2-5-10(11)9-12/h2-3,5-6H,4,7-9H2,1H3/t12-/m0/s1.
What are the key properties of (3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole?
(3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole has a molecular weight of 173.26 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole is sourced from PubChem (CID 129305590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).