6-methoxy-2,3,3a,4-tetrahydroindeno[2,1-b]pyrrole

C12H13NO — CID 70546059

IUPAC6-methoxy-2,3,3a,4-tetrahydroindeno[2,1-b]pyrrole
SMILESCOc1ccc2c(c1)CC1NCC=C21
InChIInChI=1S/C12H13NO/c1-14-9-2-3-10-8(6-9)7-12-11(10)4-5-13-12/h2-4,6,12-13H,5,7H2,1H3
InChIKeyLPABIVCBBAGIHA-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.61
Rot. Bonds1

About 6-methoxy-2,3,3a,4-tetrahydroindeno[2,1-b]pyrrole

6-methoxy-2,3,3a,4-tetrahydroindeno[2,1-b]pyrrole (PubChem CID 70546059) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 6-methoxy-2,3,3a,4-tetrahydroindeno[2,1-b]pyrrole.

Molecular Properties

Compound Name6-methoxy-2,3,3a,4-tetrahydroindeno[2,1-b]pyrrole
PubChem CID70546059
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name6-methoxy-2,3,3a,4-tetrahydroindeno[2,1-b]pyrrole
SMILESCOc1ccc2c(c1)CC1NCC=C21
InChIInChI=1S/C12H13NO/c1-14-9-2-3-10-8(6-9)7-12-11(10)4-5-13-12/h2-4,6,12-13H,5,7H2,1H3
InChIKeyLPABIVCBBAGIHA-UHFFFAOYSA-N
XLogP1.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene
CID 10543706
2-fluoro-5-methoxy-2,3-dihydroinden-1-one
CID 45120123
(2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
CID 98053581
7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one
CID 134913718
2-acetyl-5-methoxy-2,3-dihydroinden-1-one
CID 121012834
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375759
3-(2,2-dimethylpropyl)-6-methoxy-3,4-dihydro-2H-isoquinolin-1-one
CID 20608553
6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 86216518
(3aS,3bR)-7-methoxy-3,3a,3b,4,5,11-hexahydro-2H-naphtho[1,2-g]indolizin-1-one
CID 849515
7-methoxy-4,5-dihydro-1H-benzo[g]indole
CID 10535996
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3,3a,4-tetrahydroindeno[2,1-b]pyrrole?
The IUPAC name of 6-methoxy-2,3,3a,4-tetrahydroindeno[2,1-b]pyrrole (CID 70546059) is 6-methoxy-2,3,3a,4-tetrahydroindeno[2,1-b]pyrrole.
What is the SMILES notation for 6-methoxy-2,3,3a,4-tetrahydroindeno[2,1-b]pyrrole?
The canonical SMILES for 6-methoxy-2,3,3a,4-tetrahydroindeno[2,1-b]pyrrole is COc1ccc2c(c1)CC1NCC=C21.
What is the InChIKey of 6-methoxy-2,3,3a,4-tetrahydroindeno[2,1-b]pyrrole?
The InChIKey is LPABIVCBBAGIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-14-9-2-3-10-8(6-9)7-12-11(10)4-5-13-12/h2-4,6,12-13H,5,7H2,1H3.
What are the key properties of 6-methoxy-2,3,3a,4-tetrahydroindeno[2,1-b]pyrrole?
6-methoxy-2,3,3a,4-tetrahydroindeno[2,1-b]pyrrole has a molecular weight of 187.24 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3,3a,4-tetrahydroindeno[2,1-b]pyrrole is sourced from PubChem (CID 70546059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).