N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide

C11H13NO3 — CID 19815598

IUPACN-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCN(O)C(=O)C1CCc2ccccc2O1
InChIInChI=1S/C11H13NO3/c1-12(14)11(13)10-7-6-8-4-2-3-5-9(8)15-10/h2-5,10,14H,6-7H2,1H3
InChIKeyVBOMABTWBATCJL-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.23
Rot. Bonds1

About N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide

N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 19815598) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID19815598
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCN(O)C(=O)C1CCc2ccccc2O1
InChIInChI=1S/C11H13NO3/c1-12(14)11(13)10-7-6-8-4-2-3-5-9(8)15-10/h2-5,10,14H,6-7H2,1H3
InChIKeyVBOMABTWBATCJL-UHFFFAOYSA-N
XLogP1.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one
CID 158725223
1-(3,4-dihydro-2H-chromen-2-yl)-2,2-dimethylpropan-1-one
CID 23567144
amino 3,4-dihydro-2H-chromene-2-carboxylate
CID 59060293
(2S)-N-methyl-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 99959485
2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate
CID 11031797
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 70736931
N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 79120299
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 91793841
3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122334181
(2R)-N-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 97273438
azane;(2R)-2-methyl-3,4-dihydro-2H-chromene
CID 174522322
3,4-dihydro-2H-chromen-2-ylurea
CID 91352919

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide (CID 19815598) is N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide is CN(O)C(=O)C1CCc2ccccc2O1.
What is the InChIKey of N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is VBOMABTWBATCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-12(14)11(13)10-7-6-8-4-2-3-5-9(8)15-10/h2-5,10,14H,6-7H2,1H3.
What are the key properties of N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 207.23 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 19815598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).