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

C18H19NO2 — CID 15391231

IUPAC(3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-9-ol
SMILESOc1cccc2c1[C@@H]1CN(Cc3ccccc3)C[C@@H]1CO2
InChIInChI=1S/C18H19NO2/c20-16-7-4-8-17-18(16)15-11-19(10-14(15)12-21-17)9-13-5-2-1-3-6-13/h1-8,14-15,20H,9-12H2/t14-,15-/m1/s1
InChIKeyCAHRUDMVGJCWHK-HUUCEWRRSA-N
MW281.36 g/mol
LogP3.00
Rot. Bonds2

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

(3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-9-ol (PubChem CID 15391231) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-9-ol.

Molecular Properties

Compound Name(3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-9-ol
PubChem CID15391231
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-9-ol
SMILESOc1cccc2c1[C@@H]1CN(Cc3ccccc3)C[C@@H]1CO2
InChIInChI=1S/C18H19NO2/c20-16-7-4-8-17-18(16)15-11-19(10-14(15)12-21-17)9-13-5-2-1-3-6-13/h1-8,14-15,20H,9-12H2/t14-,15-/m1/s1
InChIKeyCAHRUDMVGJCWHK-HUUCEWRRSA-N
XLogP3.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole
CID 15391229
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CID 100984538
(3aR,9bS)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carboxamide
CID 70077885
2-[(3S,4R)-1-benzyl-4-(2-hydroxyphenyl)pyrrolidin-3-yl]phenol
CID 70345589
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(1R,5R)-7-benzyl-3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 98126066
(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
CID 24823154
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053

Frequently Asked Questions

What is the IUPAC name of (3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-9-ol?
The IUPAC name of (3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-9-ol (CID 15391231) is (3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-9-ol.
What is the SMILES notation for (3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-9-ol?
The canonical SMILES for (3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-9-ol is Oc1cccc2c1[C@@H]1CN(Cc3ccccc3)C[C@@H]1CO2.
What is the InChIKey of (3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-9-ol?
The InChIKey is CAHRUDMVGJCWHK-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H19NO2/c20-16-7-4-8-17-18(16)15-11-19(10-14(15)12-21-17)9-13-5-2-1-3-6-13/h1-8,14-15,20H,9-12H2/t14-,15-/m1/s1.
What are the key properties of (3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-9-ol?
(3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-9-ol has a molecular weight of 281.36 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 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]pyrrol-9-ol is sourced from PubChem (CID 15391231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).