4-(methoxymethyl)-2-oxochromene-3-carboxamide

C12H11NO4 — CID 173091593

IUPAC4-(methoxymethyl)-2-oxochromene-3-carboxamide
SMILESCOCc1c(C(N)=O)c(=O)oc2ccccc12
InChIInChI=1S/C12H11NO4/c1-16-6-8-7-4-2-3-5-9(7)17-12(15)10(8)11(13)14/h2-5H,6H2,1H3,(H2,13,14)
InChIKeyUEYXRKJTTGRPFD-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.04
Rot. Bonds3

About 4-(methoxymethyl)-2-oxochromene-3-carboxamide

4-(methoxymethyl)-2-oxochromene-3-carboxamide (PubChem CID 173091593) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-2-oxochromene-3-carboxamide
PubChem CID173091593
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name4-(methoxymethyl)-2-oxochromene-3-carboxamide
SMILESCOCc1c(C(N)=O)c(=O)oc2ccccc12
InChIInChI=1S/C12H11NO4/c1-16-6-8-7-4-2-3-5-9(7)17-12(15)10(8)11(13)14/h2-5H,6H2,1H3,(H2,13,14)
InChIKeyUEYXRKJTTGRPFD-UHFFFAOYSA-N
XLogP1.04
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 4-(methoxymethyl)-2-oxochromene-3-carboxamide (CID 173091593) is 4-(methoxymethyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-2-oxochromene-3-carboxamide is COCc1c(C(N)=O)c(=O)oc2ccccc12.
What is the InChIKey of 4-(methoxymethyl)-2-oxochromene-3-carboxamide?
The InChIKey is UEYXRKJTTGRPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-16-6-8-7-4-2-3-5-9(7)17-12(15)10(8)11(13)14/h2-5H,6H2,1H3,(H2,13,14).
What are the key properties of 4-(methoxymethyl)-2-oxochromene-3-carboxamide?
4-(methoxymethyl)-2-oxochromene-3-carboxamide has a molecular weight of 233.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 173091593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).