2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole

C12H11NO2 — CID 67816809

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole
SMILESc1c[nH]c(-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C12H11NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h1-5,8,13H,6-7H2
InChIKeyDDNMUDQYOUUNRW-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.45
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole (PubChem CID 67816809) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole
PubChem CID67816809
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole
SMILESc1c[nH]c(-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C12H11NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h1-5,8,13H,6-7H2
InChIKeyDDNMUDQYOUUNRW-UHFFFAOYSA-N
XLogP2.45
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazine-2-thione
CID 106515242
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole
CID 164566293
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole
CID 147188821
2,3-dihydro-1,4-benzodioxin-6-yl(1H-pyrrol-2-yl)methanone
CID 63750334
2-(1H-pyrrol-2-yl)-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazole
CID 141176608
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol
CID 102219638
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]hydrazine
CID 116884079
9-[2,6-bis(2,3,5,6-tetrahydro-1,4,7-benzotrioxonin-9-yl)pyrylium-4-yl]-2,3,5,6-tetrahydro-1,4,7-benzotrioxonine
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6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole (CID 67816809) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole is c1c[nH]c(-c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole?
The InChIKey is DDNMUDQYOUUNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h1-5,8,13H,6-7H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole has a molecular weight of 201.22 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole is sourced from PubChem (CID 67816809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).