7-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-5-ol

C15H21NO3 — CID 70919242

IUPAC7-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-5-ol
SMILESOc1cc(CCCN2CCCC2)cc2c1OCCO2
InChIInChI=1S/C15H21NO3/c17-13-10-12(4-3-7-16-5-1-2-6-16)11-14-15(13)19-9-8-18-14/h10-11,17H,1-9H2
InChIKeyVSDXFSDFFXPIKJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.19
Rot. Bonds4

About 7-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-5-ol

7-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-5-ol (PubChem CID 70919242) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 7-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-5-ol.

Molecular Properties

Compound Name7-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-5-ol
PubChem CID70919242
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name7-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-5-ol
SMILESOc1cc(CCCN2CCCC2)cc2c1OCCO2
InChIInChI=1S/C15H21NO3/c17-13-10-12(4-3-7-16-5-1-2-6-16)11-14-15(13)19-9-8-18-14/h10-11,17H,1-9H2
InChIKeyVSDXFSDFFXPIKJ-UHFFFAOYSA-N
XLogP2.19
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43326765
ethane;2-[4-(4-fluorophenyl)phenyl]-2-oxoacetamide;1-[3-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propyl]pyrrolidine
CID 144811434
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117302752
1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]azetidine;4-naphthalen-2-yl-2-oxobutanamide
CID 144811507
2,2-difluoro-2-[5-(4-fluorophenyl)thiophen-2-yl]acetamide;1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine
CID 144811367
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
3-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-ol
CID 117325306
1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine;1-quinolin-2-ylpyrrolidine-3-carboxamide
CID 144840060
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine
CID 118724005
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine;ethane;1-(methylamino)decan-1-ol
CID 143615624
8-methoxy-6-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 82070749
2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol
CID 170869303

Frequently Asked Questions

What is the IUPAC name of 7-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-5-ol?
The IUPAC name of 7-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-5-ol (CID 70919242) is 7-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-5-ol.
What is the SMILES notation for 7-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-5-ol?
The canonical SMILES for 7-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-5-ol is Oc1cc(CCCN2CCCC2)cc2c1OCCO2.
What is the InChIKey of 7-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-5-ol?
The InChIKey is VSDXFSDFFXPIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-13-10-12(4-3-7-16-5-1-2-6-16)11-14-15(13)19-9-8-18-14/h10-11,17H,1-9H2.
What are the key properties of 7-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-5-ol?
7-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-5-ol has a molecular weight of 263.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-5-ol is sourced from PubChem (CID 70919242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).