6-methyl-4H-1,4-benzoxazine-2-carbaldehyde

C10H9NO2 — CID 10631084

IUPAC6-methyl-4H-1,4-benzoxazine-2-carbaldehyde
SMILESCc1ccc2c(c1)NC=C(C=O)O2
InChIInChI=1S/C10H9NO2/c1-7-2-3-10-9(4-7)11-5-8(6-12)13-10/h2-6,11H,1H3
InChIKeyXDBKVAUBOHYDCN-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.84
Rot. Bonds1

About 6-methyl-4H-1,4-benzoxazine-2-carbaldehyde

6-methyl-4H-1,4-benzoxazine-2-carbaldehyde (PubChem CID 10631084) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 6-methyl-4H-1,4-benzoxazine-2-carbaldehyde.

Molecular Properties

Compound Name6-methyl-4H-1,4-benzoxazine-2-carbaldehyde
PubChem CID10631084
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name6-methyl-4H-1,4-benzoxazine-2-carbaldehyde
SMILESCc1ccc2c(c1)NC=C(C=O)O2
InChIInChI=1S/C10H9NO2/c1-7-2-3-10-9(4-7)11-5-8(6-12)13-10/h2-6,11H,1H3
InChIKeyXDBKVAUBOHYDCN-UHFFFAOYSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3,6-trimethyl-4H-1,4-benzoxazin-2-one
CID 115095300
(2E)-2-benzylidene-6-methyl-4H-1,4-benzoxazin-3-one
CID 124643521
5-methyl-3H-1,2,3-benzodioxazole
CID 151624473
fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
2-methyl-7-propan-2-yl-10H-phenoxazine
CID 67522543
4-chloro-6-methyl-2H-chromene-3-carbaldehyde
CID 10488611
5-methyl-2-(5-methyl-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole
CID 15829533
3-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
CID 623037
ethane;2-fluoro-5-methylbenzaldehyde
CID 144639073
2,8-dimethylphenoxathiine 10-oxide
CID 139056216
4-methyl-2-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethenyl]benzaldehyde
CID 76611328
N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide
CID 5297680

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4H-1,4-benzoxazine-2-carbaldehyde?
The IUPAC name of 6-methyl-4H-1,4-benzoxazine-2-carbaldehyde (CID 10631084) is 6-methyl-4H-1,4-benzoxazine-2-carbaldehyde.
What is the SMILES notation for 6-methyl-4H-1,4-benzoxazine-2-carbaldehyde?
The canonical SMILES for 6-methyl-4H-1,4-benzoxazine-2-carbaldehyde is Cc1ccc2c(c1)NC=C(C=O)O2.
What is the InChIKey of 6-methyl-4H-1,4-benzoxazine-2-carbaldehyde?
The InChIKey is XDBKVAUBOHYDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-7-2-3-10-9(4-7)11-5-8(6-12)13-10/h2-6,11H,1H3.
What are the key properties of 6-methyl-4H-1,4-benzoxazine-2-carbaldehyde?
6-methyl-4H-1,4-benzoxazine-2-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4H-1,4-benzoxazine-2-carbaldehyde is sourced from PubChem (CID 10631084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).