N-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C10H10N2O3 — CID 163477302

IUPACN-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESC=NNC(=O)c1cccc2c1OCCO2
InChIInChI=1S/C10H10N2O3/c1-11-12-10(13)7-3-2-4-8-9(7)15-6-5-14-8/h2-4H,1,5-6H2,(H,12,13)
InChIKeyCBODBODOBXGYOM-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.80
Rot. Bonds2

About N-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 163477302) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is N-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID163477302
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC NameN-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESC=NNC(=O)c1cccc2c1OCCO2
InChIInChI=1S/C10H10N2O3/c1-11-12-10(13)7-3-2-4-8-9(7)15-6-5-14-8/h2-4H,1,5-6H2,(H,12,13)
InChIKeyCBODBODOBXGYOM-UHFFFAOYSA-N
XLogP0.80
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-amino-1-oxopropan-2-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 95339712
N-(2-amino-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 63902687
N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 47455792
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 74539176
(2R)-2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)propanoic acid
CID 54991570
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylprop-2-en-1-one
CID 105113038
(2S)-2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)-3-methylbutanoic acid
CID 61136399
N-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 63733821
2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)-3-hydroxypropanoic acid
CID 43614580
N-[2-(2-methylpropanoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 68725763
N-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52775190
N-[3-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 43614601

Frequently Asked Questions

What is the IUPAC name of N-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 163477302) is N-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is C=NNC(=O)c1cccc2c1OCCO2.
What is the InChIKey of N-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is CBODBODOBXGYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-11-12-10(13)7-3-2-4-8-9(7)15-6-5-14-8/h2-4H,1,5-6H2,(H,12,13).
What are the key properties of N-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 206.20 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 163477302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).