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

C11H11NO4 — CID 82127722

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
SMILESCC(=O)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H11NO4/c1-7(13)11(14)12-8-2-3-9-10(6-8)16-5-4-15-9/h2-3,6H,4-5H2,1H3,(H,12,14)
InChIKeyMXKCCEUTZGEQDG-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.99
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide (PubChem CID 82127722) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
PubChem CID82127722
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
SMILESCC(=O)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H11NO4/c1-7(13)11(14)12-8-2-3-9-10(6-8)16-5-4-15-9/h2-3,6H,4-5H2,1H3,(H,12,14)
InChIKeyMXKCCEUTZGEQDG-UHFFFAOYSA-N
XLogP0.99
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylprop-2-enamide
CID 90480693
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991677
N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
CID 771593
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide
CID 44997744
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
N-(3-bromophenyl)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 108987680
N-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)acetamide
CID 3943211
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,6-dimethylphenyl)oxamide
CID 45000357
(E)-3-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylprop-2-enamide
CID 90355973
N-butyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 3220602
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2-ethylphenyl)oxamide
CID 44997748
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide (CID 82127722) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide is CC(=O)C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide?
The InChIKey is MXKCCEUTZGEQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-7(13)11(14)12-8-2-3-9-10(6-8)16-5-4-15-9/h2-3,6H,4-5H2,1H3,(H,12,14).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide has a molecular weight of 221.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide is sourced from PubChem (CID 82127722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).