N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

C10H10N2O5 — CID 607170

IUPACN-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2
InChIInChI=1S/C10H10N2O5/c1-6(13)11-7-4-9-10(17-3-2-16-9)5-8(7)12(14)15/h4-5H,2-3H2,1H3,(H,11,13)
InChIKeyQGKTYGXOBZLUPZ-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.32
Rot. Bonds2

About N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide (PubChem CID 607170) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.

Molecular Properties

Compound NameN-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
PubChem CID607170
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC NameN-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2
InChIInChI=1S/C10H10N2O5/c1-6(13)11-7-4-9-10(17-3-2-16-9)5-8(7)12(14)15/h4-5H,2-3H2,1H3,(H,11,13)
InChIKeyQGKTYGXOBZLUPZ-UHFFFAOYSA-N
XLogP1.32
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Acetamide, N-(4-methoxy-2-nitrophenyl)-
CID 67075
7-Nitro-2,3-dihydro-1,4-benzodioxin-6-amine
CID 607208
3-Methylamino-4-Nitrophenoxyethanol
CID 93326
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)acetamide
CID 565773
2,3-Dihydroxy-6,7-dimethoxyquinoxaline
CID 613780
Propan-2-yl (4,5-diethoxy-2-nitrophenyl)carbamate
CID 71346114
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(3-nitrophenyl)urea
CID 2207291
13-Nitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine
CID 3090874
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(4-nitrophenyl)acrylamide
CID 2176913
N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)propionamide
CID 2788656
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide
CID 2789424
N-(4-methoxy-2-nitrophenyl)-2-(1-piperidinyl)acetamide
CID 2977497

Frequently Asked Questions

What is the IUPAC name of N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The IUPAC name of N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide (CID 607170) is N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.
What is the SMILES notation for N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The canonical SMILES for N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide is CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2.
What is the InChIKey of N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The InChIKey is QGKTYGXOBZLUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c1-6(13)11-7-4-9-10(17-3-2-16-9)5-8(7)12(14)15/h4-5H,2-3H2,1H3,(H,11,13).
What are the key properties of N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide has a molecular weight of 238.20 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide is sourced from PubChem (CID 607170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).