methyl 2,3-dihydro-1,4-benzodioxine-3-carboximidate

C10H11NO3 — CID 65351667

IUPACmethyl 2,3-dihydro-1,4-benzodioxine-3-carboximidate
SMILES[H]/N=C(\OC)C1COc2ccccc2O1
InChIInChI=1S/C10H11NO3/c1-12-10(11)9-6-13-7-4-2-3-5-8(7)14-9/h2-5,9,11H,6H2,1H3/b11-10-
InChIKeyWEUVWRKZHRBOFR-KHPPLWFESA-N
MW193.20 g/mol
LogP1.45
Rot. Bonds1

About methyl 2,3-dihydro-1,4-benzodioxine-3-carboximidate

methyl 2,3-dihydro-1,4-benzodioxine-3-carboximidate (PubChem CID 65351667) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 2,3-dihydro-1,4-benzodioxine-3-carboximidate.

Molecular Properties

Compound Namemethyl 2,3-dihydro-1,4-benzodioxine-3-carboximidate
PubChem CID65351667
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 2,3-dihydro-1,4-benzodioxine-3-carboximidate
SMILES[H]/N=C(\OC)C1COc2ccccc2O1
InChIInChI=1S/C10H11NO3/c1-12-10(11)9-6-13-7-4-2-3-5-8(7)14-9/h2-5,9,11H,6H2,1H3/b11-10-
InChIKeyWEUVWRKZHRBOFR-KHPPLWFESA-N
XLogP1.45
TPSA51.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-methoxy-1-oxopropan-2-yl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 94774529
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-oxopropanoic acid
CID 170887001
2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine
CID 65351501
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134057912
(3S)-N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
CID 7210185
(3S)-N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
CID 7203782
potassium 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 19205447
(3S)-N,N-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95989083
dimethyl 5-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)benzene-1,3-dicarboxylate
CID 2998842
(3S)-N'-prop-1-en-2-yl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2367871
3-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]oxypropyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7503554

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydro-1,4-benzodioxine-3-carboximidate?
The IUPAC name of methyl 2,3-dihydro-1,4-benzodioxine-3-carboximidate (CID 65351667) is methyl 2,3-dihydro-1,4-benzodioxine-3-carboximidate.
What is the SMILES notation for methyl 2,3-dihydro-1,4-benzodioxine-3-carboximidate?
The canonical SMILES for methyl 2,3-dihydro-1,4-benzodioxine-3-carboximidate is [H]/N=C(\OC)C1COc2ccccc2O1.
What is the InChIKey of methyl 2,3-dihydro-1,4-benzodioxine-3-carboximidate?
The InChIKey is WEUVWRKZHRBOFR-KHPPLWFESA-N. The full InChI is InChI=1S/C10H11NO3/c1-12-10(11)9-6-13-7-4-2-3-5-8(7)14-9/h2-5,9,11H,6H2,1H3/b11-10-.
What are the key properties of methyl 2,3-dihydro-1,4-benzodioxine-3-carboximidate?
methyl 2,3-dihydro-1,4-benzodioxine-3-carboximidate has a molecular weight of 193.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydro-1,4-benzodioxine-3-carboximidate is sourced from PubChem (CID 65351667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).