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

C14H19NO — CID 58598878

IUPAC4-ethyl-7-methoxy-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
SMILESCCC1c2ccc(OC)cc2C2CNCC12
InChIInChI=1S/C14H19NO/c1-3-10-11-5-4-9(16-2)6-12(11)14-8-15-7-13(10)14/h4-6,10,13-15H,3,7-8H2,1-2H3
InChIKeyQZRDDBSWEXEKRJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.51
Rot. Bonds2

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

4-ethyl-7-methoxy-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole (PubChem CID 58598878) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-ethyl-7-methoxy-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole.

Molecular Properties

Compound Name4-ethyl-7-methoxy-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
PubChem CID58598878
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-ethyl-7-methoxy-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
SMILESCCC1c2ccc(OC)cc2C2CNCC12
InChIInChI=1S/C14H19NO/c1-3-10-11-5-4-9(16-2)6-12(11)14-8-15-7-13(10)14/h4-6,10,13-15H,3,7-8H2,1-2H3
InChIKeyQZRDDBSWEXEKRJ-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-methoxy-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
The IUPAC name of 4-ethyl-7-methoxy-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole (CID 58598878) is 4-ethyl-7-methoxy-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole.
What is the SMILES notation for 4-ethyl-7-methoxy-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
The canonical SMILES for 4-ethyl-7-methoxy-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole is CCC1c2ccc(OC)cc2C2CNCC12.
What is the InChIKey of 4-ethyl-7-methoxy-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
The InChIKey is QZRDDBSWEXEKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-10-11-5-4-9(16-2)6-12(11)14-8-15-7-13(10)14/h4-6,10,13-15H,3,7-8H2,1-2H3.
What are the key properties of 4-ethyl-7-methoxy-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
4-ethyl-7-methoxy-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole has a molecular weight of 217.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-methoxy-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole is sourced from PubChem (CID 58598878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).