(9R)-9-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h]isochromen-9-ol

C14H17NO4 — CID 166875949

IUPAC(9R)-9-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h]isochromen-9-ol
SMILESO[C@@]1([C@@H]2CCCN2)OCCc2ccc3c(c21)OCO3
InChIInChI=1S/C14H17NO4/c16-14(11-2-1-6-15-11)12-9(5-7-19-14)3-4-10-13(12)18-8-17-10/h3-4,11,15-16H,1-2,5-8H2/t11-,14-/m0/s1
InChIKeyZUWZWXJTNXGRLP-FZMZJTMJSA-N
MW263.29 g/mol
LogP0.89
Rot. Bonds1

About (9R)-9-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h]isochromen-9-ol

(9R)-9-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h]isochromen-9-ol (PubChem CID 166875949) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (9R)-9-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h]isochromen-9-ol.

Molecular Properties

Compound Name(9R)-9-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h]isochromen-9-ol
PubChem CID166875949
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(9R)-9-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h]isochromen-9-ol
SMILESO[C@@]1([C@@H]2CCCN2)OCCc2ccc3c(c21)OCO3
InChIInChI=1S/C14H17NO4/c16-14(11-2-1-6-15-11)12-9(5-7-19-14)3-4-10-13(12)18-8-17-10/h3-4,11,15-16H,1-2,5-8H2/t11-,14-/m0/s1
InChIKeyZUWZWXJTNXGRLP-FZMZJTMJSA-N
XLogP0.89
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (9R)-9-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h]isochromen-9-ol 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 (9R)-9-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h]isochromen-9-ol?
The IUPAC name of (9R)-9-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h]isochromen-9-ol (CID 166875949) is (9R)-9-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h]isochromen-9-ol.
What is the SMILES notation for (9R)-9-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h]isochromen-9-ol?
The canonical SMILES for (9R)-9-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h]isochromen-9-ol is O[C@@]1([C@@H]2CCCN2)OCCc2ccc3c(c21)OCO3.
What is the InChIKey of (9R)-9-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h]isochromen-9-ol?
The InChIKey is ZUWZWXJTNXGRLP-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H17NO4/c16-14(11-2-1-6-15-11)12-9(5-7-19-14)3-4-10-13(12)18-8-17-10/h3-4,11,15-16H,1-2,5-8H2/t11-,14-/m0/s1.
What are the key properties of (9R)-9-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h]isochromen-9-ol?
(9R)-9-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h]isochromen-9-ol has a molecular weight of 263.29 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h]isochromen-9-ol is sourced from PubChem (CID 166875949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).