N-methyl-3-nitroso-2-oxochromene-4-carboxamide

C11H8N2O4 — CID 170233777

IUPACN-methyl-3-nitroso-2-oxochromene-4-carboxamide
SMILESCNC(=O)c1c(N=O)c(=O)oc2ccccc12
InChIInChI=1S/C11H8N2O4/c1-12-10(14)8-6-4-2-3-5-7(6)17-11(15)9(8)13-16/h2-5H,1H3,(H,12,14)
InChIKeyWTVVNVNFOQDLEW-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.55
Rot. Bonds2

About N-methyl-3-nitroso-2-oxochromene-4-carboxamide

N-methyl-3-nitroso-2-oxochromene-4-carboxamide (PubChem CID 170233777) has the molecular formula C11H8N2O4 and a molecular weight of 232.19 g/mol. Its IUPAC name is N-methyl-3-nitroso-2-oxochromene-4-carboxamide.

Molecular Properties

Compound NameN-methyl-3-nitroso-2-oxochromene-4-carboxamide
PubChem CID170233777
Molecular FormulaC11H8N2O4
Molecular Weight232.19 g/mol
Exact Mass232.05
IUPAC NameN-methyl-3-nitroso-2-oxochromene-4-carboxamide
SMILESCNC(=O)c1c(N=O)c(=O)oc2ccccc12
InChIInChI=1S/C11H8N2O4/c1-12-10(14)8-6-4-2-3-5-7(6)17-11(15)9(8)13-16/h2-5H,1H3,(H,12,14)
InChIKeyWTVVNVNFOQDLEW-UHFFFAOYSA-N
XLogP1.55
TPSA88.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-nitroso-2-oxochromene-4-carboxamide?
The IUPAC name of N-methyl-3-nitroso-2-oxochromene-4-carboxamide (CID 170233777) is N-methyl-3-nitroso-2-oxochromene-4-carboxamide.
What is the SMILES notation for N-methyl-3-nitroso-2-oxochromene-4-carboxamide?
The canonical SMILES for N-methyl-3-nitroso-2-oxochromene-4-carboxamide is CNC(=O)c1c(N=O)c(=O)oc2ccccc12.
What is the InChIKey of N-methyl-3-nitroso-2-oxochromene-4-carboxamide?
The InChIKey is WTVVNVNFOQDLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c1-12-10(14)8-6-4-2-3-5-7(6)17-11(15)9(8)13-16/h2-5H,1H3,(H,12,14).
What are the key properties of N-methyl-3-nitroso-2-oxochromene-4-carboxamide?
N-methyl-3-nitroso-2-oxochromene-4-carboxamide has a molecular weight of 232.19 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-nitroso-2-oxochromene-4-carboxamide is sourced from PubChem (CID 170233777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).