3-benzyl-4-ethylidene-7-methoxy-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrrole

C21H23NO — CID 141199352

IUPAC3-benzyl-4-ethylidene-7-methoxy-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrrole
SMILESCC=C1c2ccc(OC)cc2C2CNC(Cc3ccccc3)C12
InChIInChI=1S/C21H23NO/c1-3-16-17-10-9-15(23-2)12-18(17)19-13-22-20(21(16)19)11-14-7-5-4-6-8-14/h3-10,12,19-22H,11,13H2,1-2H3
InChIKeyIPKRUMXFQPXJCF-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.03
Rot. Bonds3

About 3-benzyl-4-ethylidene-7-methoxy-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrrole

3-benzyl-4-ethylidene-7-methoxy-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrrole (PubChem CID 141199352) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-benzyl-4-ethylidene-7-methoxy-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrrole.

Molecular Properties

Compound Name3-benzyl-4-ethylidene-7-methoxy-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrrole
PubChem CID141199352
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name3-benzyl-4-ethylidene-7-methoxy-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrrole
SMILESCC=C1c2ccc(OC)cc2C2CNC(Cc3ccccc3)C12
InChIInChI=1S/C21H23NO/c1-3-16-17-10-9-15(23-2)12-18(17)19-13-22-20(21(16)19)11-14-7-5-4-6-8-14/h3-10,12,19-22H,11,13H2,1-2H3
InChIKeyIPKRUMXFQPXJCF-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-ethylidene-7-methoxy-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrrole?
The IUPAC name of 3-benzyl-4-ethylidene-7-methoxy-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrrole (CID 141199352) is 3-benzyl-4-ethylidene-7-methoxy-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrrole.
What is the SMILES notation for 3-benzyl-4-ethylidene-7-methoxy-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrrole?
The canonical SMILES for 3-benzyl-4-ethylidene-7-methoxy-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrrole is CC=C1c2ccc(OC)cc2C2CNC(Cc3ccccc3)C12.
What is the InChIKey of 3-benzyl-4-ethylidene-7-methoxy-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrrole?
The InChIKey is IPKRUMXFQPXJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-3-16-17-10-9-15(23-2)12-18(17)19-13-22-20(21(16)19)11-14-7-5-4-6-8-14/h3-10,12,19-22H,11,13H2,1-2H3.
What are the key properties of 3-benzyl-4-ethylidene-7-methoxy-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrrole?
3-benzyl-4-ethylidene-7-methoxy-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrrole has a molecular weight of 305.42 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-ethylidene-7-methoxy-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrrole is sourced from PubChem (CID 141199352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).