3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C9H10N2O2 — CID 26120

IUPAC3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESNC(=O)C1CNc2ccccc2O1
InChIInChI=1S/C9H10N2O2/c10-9(12)8-5-11-6-3-1-2-4-7(6)13-8/h1-4,8,11H,5H2,(H2,10,12)
InChIKeyHFMCIPVAQHTOPB-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.34
Rot. Bonds1

About 3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 26120) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID26120
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESNC(=O)C1CNc2ccccc2O1
InChIInChI=1S/C9H10N2O2/c10-9(12)8-5-11-6-3-1-2-4-7(6)13-8/h1-4,8,11H,5H2,(H2,10,12)
InChIKeyHFMCIPVAQHTOPB-UHFFFAOYSA-N
XLogP0.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 26120) is 3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is NC(=O)C1CNc2ccccc2O1.
What is the InChIKey of 3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is HFMCIPVAQHTOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-9(12)8-5-11-6-3-1-2-4-7(6)13-8/h1-4,8,11H,5H2,(H2,10,12).
What are the key properties of 3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 178.19 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 26120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).