(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-7-ol

C12H15NO2 — CID 147636204

IUPAC(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-7-ol
SMILESC[C@@]12COc3cc(O)ccc3[C@@H]1CCN2
InChIInChI=1S/C12H15NO2/c1-12-7-15-11-6-8(14)2-3-9(11)10(12)4-5-13-12/h2-3,6,10,13-14H,4-5,7H2,1H3/t10-,12+/m0/s1
InChIKeyGGRQWJVSKGMDRL-CMPLNLGQSA-N
MW205.26 g/mol
LogP1.62
Rot. Bonds

About (3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-7-ol

(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-7-ol (PubChem CID 147636204) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-7-ol.

Molecular Properties

Compound Name(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-7-ol
PubChem CID147636204
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-7-ol
SMILESC[C@@]12COc3cc(O)ccc3[C@@H]1CCN2
InChIInChI=1S/C12H15NO2/c1-12-7-15-11-6-8(14)2-3-9(11)10(12)4-5-13-12/h2-3,6,10,13-14H,4-5,7H2,1H3/t10-,12+/m0/s1
InChIKeyGGRQWJVSKGMDRL-CMPLNLGQSA-N
XLogP1.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-7-ol?
The IUPAC name of (3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-7-ol (CID 147636204) is (3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-7-ol.
What is the SMILES notation for (3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-7-ol?
The canonical SMILES for (3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-7-ol is C[C@@]12COc3cc(O)ccc3[C@@H]1CCN2.
What is the InChIKey of (3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-7-ol?
The InChIKey is GGRQWJVSKGMDRL-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12-7-15-11-6-8(14)2-3-9(11)10(12)4-5-13-12/h2-3,6,10,13-14H,4-5,7H2,1H3/t10-,12+/m0/s1.
What are the key properties of (3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-7-ol?
(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-7-ol has a molecular weight of 205.26 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-7-ol is sourced from PubChem (CID 147636204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).