9b-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindole;ethane

C14H21N — CID 176714450

IUPAC9b-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindole;ethane
SMILESCC.CC12CCCN1Cc1ccccc12
InChIInChI=1S/C12H15N.C2H6/c1-12-7-4-8-13(12)9-10-5-2-3-6-11(10)12;1-2/h2-3,5-6H,4,7-9H2,1H3;1-2H3
InChIKeyJQTWBZCCTCQPFP-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.54
Rot. Bonds

About 9b-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindole;ethane

9b-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindole;ethane (PubChem CID 176714450) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 9b-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindole;ethane.

Molecular Properties

Compound Name9b-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindole;ethane
PubChem CID176714450
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name9b-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindole;ethane
SMILESCC.CC12CCCN1Cc1ccccc12
InChIInChI=1S/C12H15N.C2H6/c1-12-7-4-8-13(12)9-10-5-2-3-6-11(10)12;1-2/h2-3,5-6H,4,7-9H2,1H3;1-2H3
InChIKeyJQTWBZCCTCQPFP-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)cyclopropan-1-amine
CID 84783552
(1S)-1-methyl-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 11095109
5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine
CID 67867198
(11bS)-11b-methyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-ol
CID 56773396
(3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole
CID 129305590
2,5,5-trimethyl-1,4-dihydro-2-benzazepin-3-one
CID 11481120
[4-(1,3-dihydroisoindol-2-yl)-1-methylazepan-4-yl]methanamine
CID 65075467
1,2-dimethyl-2-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 143727519
1-(1-methyl-2,3-dihydroinden-1-yl)piperidine;N-methyl-2-(3-methyl-2-oxo-1H-indol-3-yl)acetamide
CID 144663004
[3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 55142370
4,10b-dimethyl-1,2,3,4a,5,6-hexahydrobenzo[f]quinoline
CID 15555065
3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine
CID 58529230

Frequently Asked Questions

What is the IUPAC name of 9b-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindole;ethane?
The IUPAC name of 9b-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindole;ethane (CID 176714450) is 9b-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindole;ethane.
What is the SMILES notation for 9b-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindole;ethane?
The canonical SMILES for 9b-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindole;ethane is CC.CC12CCCN1Cc1ccccc12.
What is the InChIKey of 9b-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindole;ethane?
The InChIKey is JQTWBZCCTCQPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C2H6/c1-12-7-4-8-13(12)9-10-5-2-3-6-11(10)12;1-2/h2-3,5-6H,4,7-9H2,1H3;1-2H3.
What are the key properties of 9b-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindole;ethane?
9b-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindole;ethane has a molecular weight of 203.33 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindole;ethane is sourced from PubChem (CID 176714450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).