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

C18H19NO — CID 15391229

IUPAC(3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole
SMILESc1ccc(CN2C[C@@H]3COc4ccccc4[C@@H]3C2)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/t15-,17-/m1/s1
InChIKeyJZKQROSAHVWKPB-NVXWUHKLSA-N
MW265.36 g/mol
LogP3.29
Rot. Bonds2

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

(3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole (PubChem CID 15391229) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole
PubChem CID15391229
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole
SMILESc1ccc(CN2C[C@@H]3COc4ccccc4[C@@H]3C2)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/t15-,17-/m1/s1
InChIKeyJZKQROSAHVWKPB-NVXWUHKLSA-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

Analyze (3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole with MolForge

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Related Compounds

(3aS,9bR)-2-benzyl-8-fluoro-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole
CID 100984538
(3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-9-ol
CID 15391231
(3aR,9bS)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carboxamide
CID 70077885
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CID 98048046
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
(3aS,10bR)-2-benzyl-8-fluoro-1,3,3a,4,5,10b-hexahydro-[1]benzoxepino[4,5-c]pyrrole
CID 67167210
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1-benzyl-3,4-diphenylpyrrolidine
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(3aS,9aS)-2-benzyl-1,3,3a,9a-tetrahydro-[1,4]benzodioxino[2,3-c]pyrrole
CID 13307148
4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
CID 68764179
(3aS,6aR)-5-[(1-benzylindol-6-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
CID 163312613
10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole?
The IUPAC name of (3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole (CID 15391229) is (3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole.
What is the SMILES notation for (3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole?
The canonical SMILES for (3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole is c1ccc(CN2C[C@@H]3COc4ccccc4[C@@H]3C2)cc1.
What is the InChIKey of (3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole?
The InChIKey is JZKQROSAHVWKPB-NVXWUHKLSA-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/t15-,17-/m1/s1.
What are the key properties of (3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole?
(3aR,9bR)-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 (3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole is sourced from PubChem (CID 15391229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).