2,3-dihydro-1,4-benzodioxine-6-carboxamide

C9H9NO3 — CID 659279

IUPAC2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C9H9NO3/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H2,10,11)
InChIKeyHZHZDULNPYDZAQ-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.56
Rot. Bonds1

About 2,3-dihydro-1,4-benzodioxine-6-carboxamide

2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 659279) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID659279
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC Name2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C9H9NO3/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H2,10,11)
InChIKeyHZHZDULNPYDZAQ-UHFFFAOYSA-N
XLogP0.56
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 47005588
3-amino-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)benzamide
CID 115478319
1,3-benzodioxole-5-carboxamide;benzoic acid
CID 175362662
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 772237
2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxylate
CID 6922950
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-dicarbothioamide
CID 4029467
1-(21-acetyl-2,5,12,15,18-pentaoxatricyclo[17.4.0.06,11]tricosa-1(19),6(11),7,9,20,22-hexaen-8-yl)ethanone
CID 3935960
2,3,4,5-tetrahydro-1-benzoxepine-7-carboxamide
CID 118096760
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
[24-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene-11-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)methanone
CID 3265829
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoic acid
CID 116917934
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutan-1-one
CID 116612294

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of 2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 659279) is 2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxine-6-carboxamide is NC(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is HZHZDULNPYDZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H2,10,11).
What are the key properties of 2,3-dihydro-1,4-benzodioxine-6-carboxamide?
2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 179.18 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 659279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).