[(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-8-yl]methanol

C13H17NO2 — CID 153287549

IUPAC[(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-8-yl]methanol
SMILESC[C@@]12COc3ccc(CO)cc3[C@@H]1CCN2
InChIInChI=1S/C13H17NO2/c1-13-8-16-12-3-2-9(7-15)6-10(12)11(13)4-5-14-13/h2-3,6,11,14-15H,4-5,7-8H2,1H3/t11-,13+/m0/s1
InChIKeyOLTGJJQEEZZHCU-WCQYABFASA-N
MW219.28 g/mol
LogP1.41
Rot. Bonds1

About [(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-8-yl]methanol

[(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-8-yl]methanol (PubChem CID 153287549) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is [(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-8-yl]methanol.

Molecular Properties

Compound Name[(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-8-yl]methanol
PubChem CID153287549
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name[(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-8-yl]methanol
SMILESC[C@@]12COc3ccc(CO)cc3[C@@H]1CCN2
InChIInChI=1S/C13H17NO2/c1-13-8-16-12-3-2-9(7-15)6-10(12)11(13)4-5-14-13/h2-3,6,11,14-15H,4-5,7-8H2,1H3/t11-,13+/m0/s1
InChIKeyOLTGJJQEEZZHCU-WCQYABFASA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-8-yl]methanol with MolForge

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Related Compounds

(3aS,9bS)-3a-methyl-6-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
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(3-piperidin-4-yl-2,3-dihydro-1-benzofuran-6-yl)methanol
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3,4-dihydro-2H-1,4-benzoxazin-6-ylmethanol
CID 12000271
[4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol
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[3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol
CID 107743165
(6-bromo-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-8-yl)methanol
CID 84715509
N-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 69467433
[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol
CID 144823127
[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol
CID 12792160
[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methoxyphenyl]methanol
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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-8-yl]methanol?
The IUPAC name of [(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-8-yl]methanol (CID 153287549) is [(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-8-yl]methanol.
What is the SMILES notation for [(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-8-yl]methanol?
The canonical SMILES for [(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-8-yl]methanol is C[C@@]12COc3ccc(CO)cc3[C@@H]1CCN2.
What is the InChIKey of [(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-8-yl]methanol?
The InChIKey is OLTGJJQEEZZHCU-WCQYABFASA-N. The full InChI is InChI=1S/C13H17NO2/c1-13-8-16-12-3-2-9(7-15)6-10(12)11(13)4-5-14-13/h2-3,6,11,14-15H,4-5,7-8H2,1H3/t11-,13+/m0/s1.
What are the key properties of [(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-8-yl]methanol?
[(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-8-yl]methanol has a molecular weight of 219.28 g/mol, XLogP of 1.41, 1 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-8-yl]methanol is sourced from PubChem (CID 153287549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).