(2R)-2,5-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

C11H12N2O3 — CID 100953485

IUPAC(2R)-2,5-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCc1cccc2c1NC(=O)[C@@](C)(C(N)=O)O2
InChIInChI=1S/C11H12N2O3/c1-6-4-3-5-7-8(6)13-10(15)11(2,16-7)9(12)14/h3-5H,1-2H3,(H2,12,14)(H,13,15)/t11-/m1/s1
InChIKeyRUDRPNJHPMSRBL-LLVKDONJSA-N
MW220.23 g/mol
LogP0.57
Rot. Bonds1

About (2R)-2,5-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

(2R)-2,5-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (PubChem CID 100953485) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (2R)-2,5-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-2,5-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
PubChem CID100953485
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(2R)-2,5-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCc1cccc2c1NC(=O)[C@@](C)(C(N)=O)O2
InChIInChI=1S/C11H12N2O3/c1-6-4-3-5-7-8(6)13-10(15)11(2,16-7)9(12)14/h3-5H,1-2H3,(H2,12,14)(H,13,15)/t11-/m1/s1
InChIKeyRUDRPNJHPMSRBL-LLVKDONJSA-N
XLogP0.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,5-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of (2R)-2,5-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (CID 100953485) is (2R)-2,5-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for (2R)-2,5-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for (2R)-2,5-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide is Cc1cccc2c1NC(=O)[C@@](C)(C(N)=O)O2.
What is the InChIKey of (2R)-2,5-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The InChIKey is RUDRPNJHPMSRBL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-6-4-3-5-7-8(6)13-10(15)11(2,16-7)9(12)14/h3-5H,1-2H3,(H2,12,14)(H,13,15)/t11-/m1/s1.
What are the key properties of (2R)-2,5-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
(2R)-2,5-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 100953485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).