1,2-benzoxazin-2-amine

C8H8N2O — CID 68604665

IUPAC1,2-benzoxazin-2-amine
SMILESNN1C=Cc2ccccc2O1
InChIInChI=1S/C8H8N2O/c9-10-6-5-7-3-1-2-4-8(7)11-10/h1-6H,9H2
InChIKeyOMPKVMXZWZKINJ-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.14
Rot. Bonds

About 1,2-benzoxazin-2-amine

1,2-benzoxazin-2-amine (PubChem CID 68604665) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 1,2-benzoxazin-2-amine.

Molecular Properties

Compound Name1,2-benzoxazin-2-amine
PubChem CID68604665
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name1,2-benzoxazin-2-amine
SMILESNN1C=Cc2ccccc2O1
InChIInChI=1S/C8H8N2O/c9-10-6-5-7-3-1-2-4-8(7)11-10/h1-6H,9H2
InChIKeyOMPKVMXZWZKINJ-UHFFFAOYSA-N
XLogP1.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzoxazines
CID 17845026
7,8-Difluorobenz-oxazine
CID 134823990
Benzoxazine hydrochloride
CID 17845025
Benzoxadiazepine
CID 21866442
1,2-Benzoxazin-2-ium 2-oxide
CID 21912713
Aminobenzoxazine
CID 22177461
Methylbenzoxazine
CID 22266726
Benzoxadiazine
CID 22569929
Allyl benzoxazine
CID 67120017
Nitrobenzoxazine
CID 68511059
Monobromobenzoxazine
CID 68559991
o-Aminoazooxytoluol
CID 69446415

Frequently Asked Questions

What is the IUPAC name of 1,2-benzoxazin-2-amine?
The IUPAC name of 1,2-benzoxazin-2-amine (CID 68604665) is 1,2-benzoxazin-2-amine.
What is the SMILES notation for 1,2-benzoxazin-2-amine?
The canonical SMILES for 1,2-benzoxazin-2-amine is NN1C=Cc2ccccc2O1.
What is the InChIKey of 1,2-benzoxazin-2-amine?
The InChIKey is OMPKVMXZWZKINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c9-10-6-5-7-3-1-2-4-8(7)11-10/h1-6H,9H2.
What are the key properties of 1,2-benzoxazin-2-amine?
1,2-benzoxazin-2-amine has a molecular weight of 148.16 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzoxazin-2-amine is sourced from PubChem (CID 68604665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).