2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole

C19H21NO — CID 19795703

IUPAC2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole
SMILESCOC1c2ccccc2C2CN(Cc3ccccc3)CC21
InChIInChI=1S/C19H21NO/c1-21-19-16-10-6-5-9-15(16)17-12-20(13-18(17)19)11-14-7-3-2-4-8-14/h2-10,17-19H,11-13H2,1H3
InChIKeyCPTYPJPDORNTLK-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.60
Rot. Bonds3

About 2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole

2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole (PubChem CID 19795703) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole.

Molecular Properties

Compound Name2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole
PubChem CID19795703
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole
SMILESCOC1c2ccccc2C2CN(Cc3ccccc3)CC21
InChIInChI=1S/C19H21NO/c1-21-19-16-10-6-5-9-15(16)17-12-20(13-18(17)19)11-14-7-3-2-4-8-14/h2-10,17-19H,11-13H2,1H3
InChIKeyCPTYPJPDORNTLK-UHFFFAOYSA-N
XLogP3.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole?
The IUPAC name of 2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole (CID 19795703) is 2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole.
What is the SMILES notation for 2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole?
The canonical SMILES for 2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole is COC1c2ccccc2C2CN(Cc3ccccc3)CC21.
What is the InChIKey of 2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole?
The InChIKey is CPTYPJPDORNTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-21-19-16-10-6-5-9-15(16)17-12-20(13-18(17)19)11-14-7-3-2-4-8-14/h2-10,17-19H,11-13H2,1H3.
What are the key properties of 2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole?
2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole has a molecular weight of 279.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole is sourced from PubChem (CID 19795703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).