7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde

C10H11NO3 — CID 174637124

IUPAC7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde
SMILESCN1c2ccc(O)cc2OCC1C=O
InChIInChI=1S/C10H11NO3/c1-11-7(5-12)6-14-10-4-8(13)2-3-9(10)11/h2-5,7,13H,6H2,1H3
InChIKeyYWRUUDVRQDGWDF-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.79
Rot. Bonds1

About 7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde

7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde (PubChem CID 174637124) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde.

Molecular Properties

Compound Name7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde
PubChem CID174637124
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde
SMILESCN1c2ccc(O)cc2OCC1C=O
InChIInChI=1S/C10H11NO3/c1-11-7(5-12)6-14-10-4-8(13)2-3-9(10)11/h2-5,7,13H,6H2,1H3
InChIKeyYWRUUDVRQDGWDF-UHFFFAOYSA-N
XLogP0.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
CID 84621517
3,4,7-trimethyl-2,3-dihydro-1,4-benzoxazine
CID 83752703
2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine
CID 84621374
7-amino-4-benzyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde
CID 174562402
2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 23175924
1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde
CID 117202549
2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde
CID 117202469
7-hydroxy-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 82063603
1,3-benzodioxol-5-ol;formic acid
CID 22468167
(2R)-2-(ethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 129411607
benzene-1,3-diol;methyl 2-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 158789867
N-benzyl-2-[(3S)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide
CID 95055943

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde?
The IUPAC name of 7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde (CID 174637124) is 7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde.
What is the SMILES notation for 7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde?
The canonical SMILES for 7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde is CN1c2ccc(O)cc2OCC1C=O.
What is the InChIKey of 7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde?
The InChIKey is YWRUUDVRQDGWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-11-7(5-12)6-14-10-4-8(13)2-3-9(10)11/h2-5,7,13H,6H2,1H3.
What are the key properties of 7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde?
7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde has a molecular weight of 193.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde is sourced from PubChem (CID 174637124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).