2-benzyl-7-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole

C19H21NO2 — CID 19694443

IUPAC2-benzyl-7-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole
SMILESCOc1ccc2c(c1)OCC1CN(Cc3ccccc3)CC21
InChIInChI=1S/C19H21NO2/c1-21-16-7-8-17-18-12-20(10-14-5-3-2-4-6-14)11-15(18)13-22-19(17)9-16/h2-9,15,18H,10-13H2,1H3
InChIKeyPWFWFOUAVPITTG-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.30
Rot. Bonds3

About 2-benzyl-7-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole

2-benzyl-7-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole (PubChem CID 19694443) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-benzyl-7-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole.

Molecular Properties

Compound Name2-benzyl-7-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole
PubChem CID19694443
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-benzyl-7-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole
SMILESCOc1ccc2c(c1)OCC1CN(Cc3ccccc3)CC21
InChIInChI=1S/C19H21NO2/c1-21-16-7-8-17-18-12-20(10-14-5-3-2-4-6-14)11-15(18)13-22-19(17)9-16/h2-9,15,18H,10-13H2,1H3
InChIKeyPWFWFOUAVPITTG-UHFFFAOYSA-N
XLogP3.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole?
The IUPAC name of 2-benzyl-7-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole (CID 19694443) is 2-benzyl-7-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole.
What is the SMILES notation for 2-benzyl-7-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole?
The canonical SMILES for 2-benzyl-7-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole is COc1ccc2c(c1)OCC1CN(Cc3ccccc3)CC21.
What is the InChIKey of 2-benzyl-7-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole?
The InChIKey is PWFWFOUAVPITTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-21-16-7-8-17-18-12-20(10-14-5-3-2-4-6-14)11-15(18)13-22-19(17)9-16/h2-9,15,18H,10-13H2,1H3.
What are the key properties of 2-benzyl-7-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole?
2-benzyl-7-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole has a molecular weight of 295.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole is sourced from PubChem (CID 19694443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).