6,8-dichloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole

C13H15Cl2NO — CID 11616021

IUPAC6,8-dichloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
SMILESCOc1c(Cl)cc2c(c1Cl)C1CNCC1C2C
InChIInChI=1S/C13H15Cl2NO/c1-6-7-3-10(14)13(17-2)12(15)11(7)9-5-16-4-8(6)9/h3,6,8-9,16H,4-5H2,1-2H3
InChIKeyQZEXFZJNWUVTRO-UHFFFAOYSA-N
MW272.18 g/mol
LogP3.42
Rot. Bonds1

About 6,8-dichloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole

6,8-dichloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole (PubChem CID 11616021) has the molecular formula C13H15Cl2NO and a molecular weight of 272.18 g/mol. Its IUPAC name is 6,8-dichloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole.

Molecular Properties

Compound Name6,8-dichloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
PubChem CID11616021
Molecular FormulaC13H15Cl2NO
Molecular Weight272.18 g/mol
Exact Mass271.05
IUPAC Name6,8-dichloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
SMILESCOc1c(Cl)cc2c(c1Cl)C1CNCC1C2C
InChIInChI=1S/C13H15Cl2NO/c1-6-7-3-10(14)13(17-2)12(15)11(7)9-5-16-4-8(6)9/h3,6,8-9,16H,4-5H2,1-2H3
InChIKeyQZEXFZJNWUVTRO-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
The IUPAC name of 6,8-dichloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole (CID 11616021) is 6,8-dichloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole.
What is the SMILES notation for 6,8-dichloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
The canonical SMILES for 6,8-dichloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole is COc1c(Cl)cc2c(c1Cl)C1CNCC1C2C.
What is the InChIKey of 6,8-dichloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
The InChIKey is QZEXFZJNWUVTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c1-6-7-3-10(14)13(17-2)12(15)11(7)9-5-16-4-8(6)9/h3,6,8-9,16H,4-5H2,1-2H3.
What are the key properties of 6,8-dichloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
6,8-dichloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole has a molecular weight of 272.18 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole is sourced from PubChem (CID 11616021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).