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

C18H19NO — CID 19694453

IUPAC2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole
SMILESc1ccc(CN2CC3COc4ccccc4C3C2)cc1
InChIInChI=1S/C18H19NO/c1-2-6-14(7-3-1)10-19-11-15-13-20-18-9-5-4-8-16(18)17(15)12-19/h1-9,15,17H,10-13H2
InChIKeyJZKQROSAHVWKPB-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.29
Rot. Bonds2

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

2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole (PubChem CID 19694453) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole.

Molecular Properties

Compound Name2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole
PubChem CID19694453
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole
SMILESc1ccc(CN2CC3COc4ccccc4C3C2)cc1
InChIInChI=1S/C18H19NO/c1-2-6-14(7-3-1)10-19-11-15-13-20-18-9-5-4-8-16(18)17(15)12-19/h1-9,15,17H,10-13H2
InChIKeyJZKQROSAHVWKPB-UHFFFAOYSA-N
XLogP3.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole?
The IUPAC name of 2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole (CID 19694453) is 2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole.
What is the SMILES notation for 2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole?
The canonical SMILES for 2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole is c1ccc(CN2CC3COc4ccccc4C3C2)cc1.
What is the InChIKey of 2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole?
The InChIKey is JZKQROSAHVWKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-6-14(7-3-1)10-19-11-15-13-20-18-9-5-4-8-16(18)17(15)12-19/h1-9,15,17H,10-13H2.
What are the key properties of 2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole?
2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole has a molecular weight of 265.36 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole is sourced from PubChem (CID 19694453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).