(8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-2-yl)methanediol

C11H14N2O3 — CID 174193097

IUPAC(8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-2-yl)methanediol
SMILESOC(O)C1CC2(O)c3ccccc3NC2N1
InChIInChI=1S/C11H14N2O3/c14-9(15)8-5-11(16)6-3-1-2-4-7(6)12-10(11)13-8/h1-4,8-10,12-16H,5H2
InChIKeyHIOIWCJPGICWGR-UHFFFAOYSA-N
MW222.24 g/mol
LogP-0.70
Rot. Bonds1

About (8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-2-yl)methanediol

(8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-2-yl)methanediol (PubChem CID 174193097) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-2-yl)methanediol.

Molecular Properties

Compound Name(8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-2-yl)methanediol
PubChem CID174193097
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-2-yl)methanediol
SMILESOC(O)C1CC2(O)c3ccccc3NC2N1
InChIInChI=1S/C11H14N2O3/c14-9(15)8-5-11(16)6-3-1-2-4-7(6)12-10(11)13-8/h1-4,8-10,12-16H,5H2
InChIKeyHIOIWCJPGICWGR-UHFFFAOYSA-N
XLogP-0.70
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-2-yl)methanediol?
The IUPAC name of (8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-2-yl)methanediol (CID 174193097) is (8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-2-yl)methanediol.
What is the SMILES notation for (8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-2-yl)methanediol?
The canonical SMILES for (8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-2-yl)methanediol is OC(O)C1CC2(O)c3ccccc3NC2N1.
What is the InChIKey of (8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-2-yl)methanediol?
The InChIKey is HIOIWCJPGICWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-9(15)8-5-11(16)6-3-1-2-4-7(6)12-10(11)13-8/h1-4,8-10,12-16H,5H2.
What are the key properties of (8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-2-yl)methanediol?
(8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-2-yl)methanediol has a molecular weight of 222.24 g/mol, XLogP of -0.70, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-2-yl)methanediol is sourced from PubChem (CID 174193097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).