methyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate

C11H12ClNO3 — CID 10681590

IUPACmethyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate
SMILESCOC(=O)c1cc(Cl)cc2c1OCCN2C
InChIInChI=1S/C11H12ClNO3/c1-13-3-4-16-10-8(11(14)15-2)5-7(12)6-9(10)13/h5-6H,3-4H2,1-2H3
InChIKeyMZDMYXKPKFHMEE-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.96
Rot. Bonds1

About methyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate

methyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate (PubChem CID 10681590) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is methyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate
PubChem CID10681590
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Namemethyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate
SMILESCOC(=O)c1cc(Cl)cc2c1OCCN2C
InChIInChI=1S/C11H12ClNO3/c1-13-3-4-16-10-8(11(14)15-2)5-7(12)6-9(10)13/h5-6H,3-4H2,1-2H3
InChIKeyMZDMYXKPKFHMEE-UHFFFAOYSA-N
XLogP1.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate?
The IUPAC name of methyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate (CID 10681590) is methyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate.
What is the SMILES notation for methyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate?
The canonical SMILES for methyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate is COC(=O)c1cc(Cl)cc2c1OCCN2C.
What is the InChIKey of methyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate?
The InChIKey is MZDMYXKPKFHMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-13-3-4-16-10-8(11(14)15-2)5-7(12)6-9(10)13/h5-6H,3-4H2,1-2H3.
What are the key properties of methyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate?
methyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate has a molecular weight of 241.67 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate is sourced from PubChem (CID 10681590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).