5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide

C14H14N2O3 — CID 116828367

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccc3c(c2)OCCO3)cc1C(N)=O
InChIInChI=1S/C14H14N2O3/c1-8-10(14(15)17)7-11(16-8)9-2-3-12-13(6-9)19-5-4-18-12/h2-3,6-7,16H,4-5H2,1H3,(H2,15,17)
InChIKeySCSOWJRAAFJAAF-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.86
Rot. Bonds2

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 116828367) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID116828367
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccc3c(c2)OCCO3)cc1C(N)=O
InChIInChI=1S/C14H14N2O3/c1-8-10(14(15)17)7-11(16-8)9-2-3-12-13(6-9)19-5-4-18-12/h2-3,6-7,16H,4-5H2,1H3,(H2,15,17)
InChIKeySCSOWJRAAFJAAF-UHFFFAOYSA-N
XLogP1.86
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-imidazole-2-carboxamide
CID 116883951
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-propan-2-ylpyrrole-3-carboxamide
CID 3845012
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide
CID 169402124
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-1-propylpyrrole-3-carboxamide
CID 3853405
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
(2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide
CID 95188787
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one
CID 82517574
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazole-4-carboxylic acid
CID 82124091
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 3853401
2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrrole-3-carbonitrile
CID 82299145

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide (CID 116828367) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2ccc3c(c2)OCCO3)cc1C(N)=O.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is SCSOWJRAAFJAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-10(14(15)17)7-11(16-8)9-2-3-12-13(6-9)19-5-4-18-12/h2-3,6-7,16H,4-5H2,1H3,(H2,15,17).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 116828367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).