4a,8a-dihydro-2H-1,4-benzoxazine-7-carboxamide

C9H10N2O2 — CID 123877754

IUPAC4a,8a-dihydro-2H-1,4-benzoxazine-7-carboxamide
SMILESNC(=O)C1=CC2OCC=NC2C=C1
InChIInChI=1S/C9H10N2O2/c10-9(12)6-1-2-7-8(5-6)13-4-3-11-7/h1-3,5,7-8H,4H2,(H2,10,12)
InChIKeyQOJHOMCQSDZZKR-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.19
Rot. Bonds1

About 4a,8a-dihydro-2H-1,4-benzoxazine-7-carboxamide

4a,8a-dihydro-2H-1,4-benzoxazine-7-carboxamide (PubChem CID 123877754) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4a,8a-dihydro-2H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound Name4a,8a-dihydro-2H-1,4-benzoxazine-7-carboxamide
PubChem CID123877754
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4a,8a-dihydro-2H-1,4-benzoxazine-7-carboxamide
SMILESNC(=O)C1=CC2OCC=NC2C=C1
InChIInChI=1S/C9H10N2O2/c10-9(12)6-1-2-7-8(5-6)13-4-3-11-7/h1-3,5,7-8H,4H2,(H2,10,12)
InChIKeyQOJHOMCQSDZZKR-UHFFFAOYSA-N
XLogP-0.19
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4a,8a-dihydro-2H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of 4a,8a-dihydro-2H-1,4-benzoxazine-7-carboxamide (CID 123877754) is 4a,8a-dihydro-2H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for 4a,8a-dihydro-2H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for 4a,8a-dihydro-2H-1,4-benzoxazine-7-carboxamide is NC(=O)C1=CC2OCC=NC2C=C1.
What is the InChIKey of 4a,8a-dihydro-2H-1,4-benzoxazine-7-carboxamide?
The InChIKey is QOJHOMCQSDZZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-9(12)6-1-2-7-8(5-6)13-4-3-11-7/h1-3,5,7-8H,4H2,(H2,10,12).
What are the key properties of 4a,8a-dihydro-2H-1,4-benzoxazine-7-carboxamide?
4a,8a-dihydro-2H-1,4-benzoxazine-7-carboxamide has a molecular weight of 178.19 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8a-dihydro-2H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 123877754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).