methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate

C10H11NO3 — CID 18961793

IUPACmethyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)OCCN2
InChIInChI=1S/C10H11NO3/c1-13-10(12)7-2-3-8-9(6-7)14-5-4-11-8/h2-3,6,11H,4-5H2,1H3
InChIKeyQHAIQLAFSPRIGM-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.28
Rot. Bonds1

About methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate

methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate (PubChem CID 18961793) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
PubChem CID18961793
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)OCCN2
InChIInChI=1S/C10H11NO3/c1-13-10(12)7-2-3-8-9(6-7)14-5-4-11-8/h2-3,6,11H,4-5H2,1H3
InChIKeyQHAIQLAFSPRIGM-UHFFFAOYSA-N
XLogP1.28
TPSA47.56 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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate?
The IUPAC name of methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate (CID 18961793) is methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate.
What is the SMILES notation for methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate?
The canonical SMILES for methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate is COC(=O)c1ccc2c(c1)OCCN2.
What is the InChIKey of methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate?
The InChIKey is QHAIQLAFSPRIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-13-10(12)7-2-3-8-9(6-7)14-5-4-11-8/h2-3,6,11H,4-5H2,1H3.
What are the key properties of methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate?
methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate has a molecular weight of 193.20 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate is sourced from PubChem (CID 18961793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).