methyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate

C11H13NO3 — CID 14373655

IUPACmethyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate
SMILESCOC(=O)c1cccc2c1N(C)CCO2
InChIInChI=1S/C11H13NO3/c1-12-6-7-15-9-5-3-4-8(10(9)12)11(13)14-2/h3-5H,6-7H2,1-2H3
InChIKeyCHVQVSHQQHKPTN-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.30
Rot. Bonds1

About methyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate

methyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate (PubChem CID 14373655) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate
PubChem CID14373655
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate
SMILESCOC(=O)c1cccc2c1N(C)CCO2
InChIInChI=1S/C11H13NO3/c1-12-6-7-15-9-5-3-4-8(10(9)12)11(13)14-2/h3-5H,6-7H2,1-2H3
InChIKeyCHVQVSHQQHKPTN-UHFFFAOYSA-N
XLogP1.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,3-dihydro-1-benzofuran-4-carboxylate
CID 130045390
methyl 2,3,4,5-tetrahydro-1,5-benzoxazepine-6-carboxylate
CID 115098661
5-bromo-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 83823671
methyl 3-amino-2-morpholin-4-ylbenzoate
CID 112577589
5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-6-carboxylic acid
CID 83822514
methyl 4-[(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoate
CID 82345508
methyl 2-(2,3-dioxomorpholin-4-yl)benzoate
CID 117005546
methyl 4-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)butanoate
CID 82345571
methyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate
CID 10681590
methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate
CID 130722266
methyl 3,4-dihydro-2H-1,5-benzoxazepine-5-carboxylate
CID 66829621
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate?
The IUPAC name of methyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate (CID 14373655) is methyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate is COC(=O)c1cccc2c1N(C)CCO2.
What is the InChIKey of methyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate?
The InChIKey is CHVQVSHQQHKPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-12-6-7-15-9-5-3-4-8(10(9)12)11(13)14-2/h3-5H,6-7H2,1-2H3.
What are the key properties of methyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate?
methyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate is sourced from PubChem (CID 14373655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).