6-chloro-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole

C11H12ClN — CID 83878665

IUPAC6-chloro-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole
SMILESClc1ccc2c(c1)CC1CCNC21
InChIInChI=1S/C11H12ClN/c12-9-1-2-10-8(6-9)5-7-3-4-13-11(7)10/h1-2,6-7,11,13H,3-5H2
InChIKeyOQFQVMJSKPLQSI-UHFFFAOYSA-N
MW193.68 g/mol
LogP2.55
Rot. Bonds

About 6-chloro-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole

6-chloro-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole (PubChem CID 83878665) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 6-chloro-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole.

Molecular Properties

Compound Name6-chloro-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole
PubChem CID83878665
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name6-chloro-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole
SMILESClc1ccc2c(c1)CC1CCNC21
InChIInChI=1S/C11H12ClN/c12-9-1-2-10-8(6-9)5-7-3-4-13-11(7)10/h1-2,6-7,11,13H,3-5H2
InChIKeyOQFQVMJSKPLQSI-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
CID 13368796
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CID 171725247
(2R)-2-(4-chloro-2-methylphenyl)azetidine
CID 130665012
(2S)-2-[(1S)-6-chloro-3,4-dihydro-1H-isochromen-1-yl]azetidine;(2S)-2-[(1R)-6-chloro-3,4-dihydro-1H-isochromen-1-yl]azetidine
CID 158515907
7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 67537734
7-chloro-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol
CID 118712369
8-chloro-2,3,4,4a,5,10b-hexahydro-1H-thiochromeno[4,3-b]pyridine
CID 83912553
2-(4-chloro-2-fluorophenyl)azetidine
CID 55271192
5-bromo-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole
CID 83897933
(4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene
CID 22826681
2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine
CID 105497348
3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene
CID 112714414

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole?
The IUPAC name of 6-chloro-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole (CID 83878665) is 6-chloro-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole.
What is the SMILES notation for 6-chloro-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole?
The canonical SMILES for 6-chloro-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole is Clc1ccc2c(c1)CC1CCNC21.
What is the InChIKey of 6-chloro-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole?
The InChIKey is OQFQVMJSKPLQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c12-9-1-2-10-8(6-9)5-7-3-4-13-11(7)10/h1-2,6-7,11,13H,3-5H2.
What are the key properties of 6-chloro-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole?
6-chloro-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole has a molecular weight of 193.68 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole is sourced from PubChem (CID 83878665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).