N-hydroxy-7-methoxy-N-methyl-2H-chromene-3-carboxamide

C12H13NO4 — CID 14971255

IUPACN-hydroxy-7-methoxy-N-methyl-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)N(C)O)=C2
InChIInChI=1S/C12H13NO4/c1-13(15)12(14)9-5-8-3-4-10(16-2)6-11(8)17-7-9/h3-6,15H,7H2,1-2H3
InChIKeyBAVLTNAWWJMAPW-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.32
Rot. Bonds2

About N-hydroxy-7-methoxy-N-methyl-2H-chromene-3-carboxamide

N-hydroxy-7-methoxy-N-methyl-2H-chromene-3-carboxamide (PubChem CID 14971255) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-hydroxy-7-methoxy-N-methyl-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-7-methoxy-N-methyl-2H-chromene-3-carboxamide
PubChem CID14971255
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC NameN-hydroxy-7-methoxy-N-methyl-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)N(C)O)=C2
InChIInChI=1S/C12H13NO4/c1-13(15)12(14)9-5-8-3-4-10(16-2)6-11(8)17-7-9/h3-6,15H,7H2,1-2H3
InChIKeyBAVLTNAWWJMAPW-UHFFFAOYSA-N
XLogP1.32
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-methoxy-N-methyl-2H-chromene-3-carboxamide?
The IUPAC name of N-hydroxy-7-methoxy-N-methyl-2H-chromene-3-carboxamide (CID 14971255) is N-hydroxy-7-methoxy-N-methyl-2H-chromene-3-carboxamide.
What is the SMILES notation for N-hydroxy-7-methoxy-N-methyl-2H-chromene-3-carboxamide?
The canonical SMILES for N-hydroxy-7-methoxy-N-methyl-2H-chromene-3-carboxamide is COc1ccc2c(c1)OCC(C(=O)N(C)O)=C2.
What is the InChIKey of N-hydroxy-7-methoxy-N-methyl-2H-chromene-3-carboxamide?
The InChIKey is BAVLTNAWWJMAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-13(15)12(14)9-5-8-3-4-10(16-2)6-11(8)17-7-9/h3-6,15H,7H2,1-2H3.
What are the key properties of N-hydroxy-7-methoxy-N-methyl-2H-chromene-3-carboxamide?
N-hydroxy-7-methoxy-N-methyl-2H-chromene-3-carboxamide has a molecular weight of 235.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-methoxy-N-methyl-2H-chromene-3-carboxamide is sourced from PubChem (CID 14971255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).