3a,8b-dimethyl-1,2,3,4-tetrahydroindeno[1,2-b]pyrrole;hydrochloride

C13H18ClN — CID 68503022

IUPAC3a,8b-dimethyl-1,2,3,4-tetrahydroindeno[1,2-b]pyrrole;hydrochloride
SMILESCC12CCNC1(C)c1ccccc1C2.Cl
InChIInChI=1S/C13H17N.ClH/c1-12-7-8-14-13(12,2)11-6-4-3-5-10(11)9-12;/h3-6,14H,7-9H2,1-2H3;1H
InChIKeyMYQQAICWXJSKAW-UHFFFAOYSA-N
MW223.75 g/mol
LogP2.88
Rot. Bonds

About 3a,8b-dimethyl-1,2,3,4-tetrahydroindeno[1,2-b]pyrrole;hydrochloride

3a,8b-dimethyl-1,2,3,4-tetrahydroindeno[1,2-b]pyrrole;hydrochloride (PubChem CID 68503022) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 3a,8b-dimethyl-1,2,3,4-tetrahydroindeno[1,2-b]pyrrole;hydrochloride.

Molecular Properties

Compound Name3a,8b-dimethyl-1,2,3,4-tetrahydroindeno[1,2-b]pyrrole;hydrochloride
PubChem CID68503022
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name3a,8b-dimethyl-1,2,3,4-tetrahydroindeno[1,2-b]pyrrole;hydrochloride
SMILESCC12CCNC1(C)c1ccccc1C2.Cl
InChIInChI=1S/C13H17N.ClH/c1-12-7-8-14-13(12,2)11-6-4-3-5-10(11)9-12;/h3-6,14H,7-9H2,1-2H3;1H
InChIKeyMYQQAICWXJSKAW-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3a,8b-dimethyl-1,2,3,4-tetrahydroindeno[1,2-b]pyrrole;hydrochloride?
The IUPAC name of 3a,8b-dimethyl-1,2,3,4-tetrahydroindeno[1,2-b]pyrrole;hydrochloride (CID 68503022) is 3a,8b-dimethyl-1,2,3,4-tetrahydroindeno[1,2-b]pyrrole;hydrochloride.
What is the SMILES notation for 3a,8b-dimethyl-1,2,3,4-tetrahydroindeno[1,2-b]pyrrole;hydrochloride?
The canonical SMILES for 3a,8b-dimethyl-1,2,3,4-tetrahydroindeno[1,2-b]pyrrole;hydrochloride is CC12CCNC1(C)c1ccccc1C2.Cl.
What is the InChIKey of 3a,8b-dimethyl-1,2,3,4-tetrahydroindeno[1,2-b]pyrrole;hydrochloride?
The InChIKey is MYQQAICWXJSKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.ClH/c1-12-7-8-14-13(12,2)11-6-4-3-5-10(11)9-12;/h3-6,14H,7-9H2,1-2H3;1H.
What are the key properties of 3a,8b-dimethyl-1,2,3,4-tetrahydroindeno[1,2-b]pyrrole;hydrochloride?
3a,8b-dimethyl-1,2,3,4-tetrahydroindeno[1,2-b]pyrrole;hydrochloride has a molecular weight of 223.75 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,8b-dimethyl-1,2,3,4-tetrahydroindeno[1,2-b]pyrrole;hydrochloride is sourced from PubChem (CID 68503022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).