5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol

C12H15NO3 — CID 117315855

IUPAC5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol
SMILESOc1cc2c(c(C3CCNC3)c1)OCCO2
InChIInChI=1S/C12H15NO3/c14-9-5-10(8-1-2-13-7-8)12-11(6-9)15-3-4-16-12/h5-6,8,13-14H,1-4,7H2
InChIKeyYRZQCYAGBTWYPO-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.24
Rot. Bonds1

About 5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol

5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol (PubChem CID 117315855) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol.

Molecular Properties

Compound Name5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol
PubChem CID117315855
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol
SMILESOc1cc2c(c(C3CCNC3)c1)OCCO2
InChIInChI=1S/C12H15NO3/c14-9-5-10(8-1-2-13-7-8)12-11(6-9)15-3-4-16-12/h5-6,8,13-14H,1-4,7H2
InChIKeyYRZQCYAGBTWYPO-UHFFFAOYSA-N
XLogP1.24
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-7-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117483149
3-[7-(1-fluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine
CID 117381283
3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117423040
3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 84684759
3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117452508
4-bromo-6-pyrrolidin-3-yl-1,3-benzodioxol-5-ol
CID 117460692
3-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 84696872
3-[6-(1-fluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine
CID 117381284
3-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117346620
3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 82602979
5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol
CID 84652316
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387263

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol?
The IUPAC name of 5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol (CID 117315855) is 5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol.
What is the SMILES notation for 5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol?
The canonical SMILES for 5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol is Oc1cc2c(c(C3CCNC3)c1)OCCO2.
What is the InChIKey of 5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol?
The InChIKey is YRZQCYAGBTWYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-9-5-10(8-1-2-13-7-8)12-11(6-9)15-3-4-16-12/h5-6,8,13-14H,1-4,7H2.
What are the key properties of 5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol?
5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol has a molecular weight of 221.26 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol is sourced from PubChem (CID 117315855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).