(3aS,9bS)-3,3a-dimethyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrol-7-ol

C13H17NO2 — CID 153287535

IUPAC(3aS,9bS)-3,3a-dimethyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrol-7-ol
SMILESCN1CC[C@H]2c3ccc(O)cc3OC[C@]21C
InChIInChI=1S/C13H17NO2/c1-13-8-16-12-7-9(15)3-4-10(12)11(13)5-6-14(13)2/h3-4,7,11,15H,5-6,8H2,1-2H3/t11-,13+/m0/s1
InChIKeySEPSSYLGBRIKNC-WCQYABFASA-N
MW219.28 g/mol
LogP1.96
Rot. Bonds

About (3aS,9bS)-3,3a-dimethyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrol-7-ol

(3aS,9bS)-3,3a-dimethyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrol-7-ol (PubChem CID 153287535) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3aS,9bS)-3,3a-dimethyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrol-7-ol.

Molecular Properties

Compound Name(3aS,9bS)-3,3a-dimethyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrol-7-ol
PubChem CID153287535
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3aS,9bS)-3,3a-dimethyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrol-7-ol
SMILESCN1CC[C@H]2c3ccc(O)cc3OC[C@]21C
InChIInChI=1S/C13H17NO2/c1-13-8-16-12-7-9(15)3-4-10(12)11(13)5-6-14(13)2/h3-4,7,11,15H,5-6,8H2,1-2H3/t11-,13+/m0/s1
InChIKeySEPSSYLGBRIKNC-WCQYABFASA-N
XLogP1.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,9bS)-3,3a-dimethyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrol-7-ol with MolForge

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

Launch Full Analysis

Related Compounds

2H-1-Benzopyran-7-ol, 3,4-dihydro-3-phenyl-4-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-, cis-(-)-
CID 9823142
12-Methyl-9-oxa-12-azatricyclo[13.4.0.03,8]nonadeca-1(19),3(8),4,6,15,17-hexaen-6-ol
CID 11778580
3-Propylamino-5-hydroxychroman
CID 131001
1''-propylspiro[3,4-dihydro-2H-chromene-3,2''-(tetrahydro-1''H-pyrrole)]-5-ol
CID 10490728
(3R,4S)-3-(4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol
CID 10592154
5-methoxy-1''-propylspiro[3,4-dihydro-2H-chromene-3,2''-(tetrahydro-1''H-pyrrole)]
CID 10635163
(3R,4S)-3-(4-benzylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol
CID 10854580
1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-phenanthren-5-ol
CID 14151619
5-methoxyspiro[3,4-dihydro-2H-chromene-3,2''-(tetrahydro-1''H-pyrrole)]
CID 15222791
2-benzyl-7-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole
CID 19694443
(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-7-ol
CID 147636204
(3aS,9bS)-3a-methyl-7-phenylmethoxy-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
CID 149396365

Frequently Asked Questions

What is the IUPAC name of (3aS,9bS)-3,3a-dimethyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrol-7-ol?
The IUPAC name of (3aS,9bS)-3,3a-dimethyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrol-7-ol (CID 153287535) is (3aS,9bS)-3,3a-dimethyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrol-7-ol.
What is the SMILES notation for (3aS,9bS)-3,3a-dimethyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrol-7-ol?
The canonical SMILES for (3aS,9bS)-3,3a-dimethyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrol-7-ol is CN1CC[C@H]2c3ccc(O)cc3OC[C@]21C.
What is the InChIKey of (3aS,9bS)-3,3a-dimethyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrol-7-ol?
The InChIKey is SEPSSYLGBRIKNC-WCQYABFASA-N. The full InChI is InChI=1S/C13H17NO2/c1-13-8-16-12-7-9(15)3-4-10(12)11(13)5-6-14(13)2/h3-4,7,11,15H,5-6,8H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of (3aS,9bS)-3,3a-dimethyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrol-7-ol?
(3aS,9bS)-3,3a-dimethyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrol-7-ol has a molecular weight of 219.28 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bS)-3,3a-dimethyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrol-7-ol is sourced from PubChem (CID 153287535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).