(3aS,9bS)-3a-methyl-6-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole

C18H19NO — CID 153287542

IUPAC(3aS,9bS)-3a-methyl-6-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
SMILESC[C@@]12COc3c(-c4ccccc4)cccc3[C@@H]1CCN2
InChIInChI=1S/C18H19NO/c1-18-12-20-17-14(13-6-3-2-4-7-13)8-5-9-15(17)16(18)10-11-19-18/h2-9,16,19H,10-12H2,1H3/t16-,18+/m0/s1
InChIKeyIVQPXBCLQHZSAY-FUHWJXTLSA-N
MW265.36 g/mol
LogP3.58
Rot. Bonds1

About (3aS,9bS)-3a-methyl-6-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole

(3aS,9bS)-3a-methyl-6-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole (PubChem CID 153287542) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (3aS,9bS)-3a-methyl-6-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole.

Molecular Properties

Compound Name(3aS,9bS)-3a-methyl-6-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
PubChem CID153287542
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(3aS,9bS)-3a-methyl-6-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
SMILESC[C@@]12COc3c(-c4ccccc4)cccc3[C@@H]1CCN2
InChIInChI=1S/C18H19NO/c1-18-12-20-17-14(13-6-3-2-4-7-13)8-5-9-15(17)16(18)10-11-19-18/h2-9,16,19H,10-12H2,1H3/t16-,18+/m0/s1
InChIKeyIVQPXBCLQHZSAY-FUHWJXTLSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,9bS)-3a-methyl-6-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aS,9bS)-3a-methyl-6-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole?
The IUPAC name of (3aS,9bS)-3a-methyl-6-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole (CID 153287542) is (3aS,9bS)-3a-methyl-6-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole.
What is the SMILES notation for (3aS,9bS)-3a-methyl-6-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole?
The canonical SMILES for (3aS,9bS)-3a-methyl-6-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole is C[C@@]12COc3c(-c4ccccc4)cccc3[C@@H]1CCN2.
What is the InChIKey of (3aS,9bS)-3a-methyl-6-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole?
The InChIKey is IVQPXBCLQHZSAY-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H19NO/c1-18-12-20-17-14(13-6-3-2-4-7-13)8-5-9-15(17)16(18)10-11-19-18/h2-9,16,19H,10-12H2,1H3/t16-,18+/m0/s1.
What are the key properties of (3aS,9bS)-3a-methyl-6-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole?
(3aS,9bS)-3a-methyl-6-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole has a molecular weight of 265.36 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bS)-3a-methyl-6-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole is sourced from PubChem (CID 153287542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).