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

C11H13NO5 — CID 171868354

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H13NO5/c12-11(15)10(14)9(13)6-1-2-7-8(5-6)17-4-3-16-7/h1-2,5,9-10,13-14H,3-4H2,(H2,12,15)
InChIKeyIKDNNCJYRHPQNW-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.66
Rot. Bonds3

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

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide (PubChem CID 171868354) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide
PubChem CID171868354
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H13NO5/c12-11(15)10(14)9(13)6-1-2-7-8(5-6)17-4-3-16-7/h1-2,5,9-10,13-14H,3-4H2,(H2,12,15)
InChIKeyIKDNNCJYRHPQNW-UHFFFAOYSA-N
XLogP-0.66
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 4625672
3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 43144969
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxybutanoate
CID 66288795
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylpropan-1-ol
CID 113422307
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
CID 11185720
(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropane-1,3-diol
CID 122470622
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-2,3-dihydroxypropanoate
CID 171864210
ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxybutanoate
CID 66290653
2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 61005480
4-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,2-diol
CID 171893991

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide (CID 171868354) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide?
The InChIKey is IKDNNCJYRHPQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c12-11(15)10(14)9(13)6-1-2-7-8(5-6)17-4-3-16-7/h1-2,5,9-10,13-14H,3-4H2,(H2,12,15).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide has a molecular weight of 239.23 g/mol, XLogP of -0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171868354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).