methyl 3-prop-1-en-2-yloxycarbonyloxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate

C12H14N2O6 — CID 89362941

IUPACmethyl 3-prop-1-en-2-yloxycarbonyloxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
SMILESC=C(C)OC(=O)Oc1noc2c1CCN(C(=O)OC)C2
InChIInChI=1S/C12H14N2O6/c1-7(2)18-12(16)19-10-8-4-5-14(11(15)17-3)6-9(8)20-13-10/h1,4-6H2,2-3H3
InChIKeyDVQUQMJACUOTRP-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.85
Rot. Bonds2

About methyl 3-prop-1-en-2-yloxycarbonyloxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate

methyl 3-prop-1-en-2-yloxycarbonyloxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate (PubChem CID 89362941) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is methyl 3-prop-1-en-2-yloxycarbonyloxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-prop-1-en-2-yloxycarbonyloxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
PubChem CID89362941
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Namemethyl 3-prop-1-en-2-yloxycarbonyloxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
SMILESC=C(C)OC(=O)Oc1noc2c1CCN(C(=O)OC)C2
InChIInChI=1S/C12H14N2O6/c1-7(2)18-12(16)19-10-8-4-5-14(11(15)17-3)6-9(8)20-13-10/h1,4-6H2,2-3H3
InChIKeyDVQUQMJACUOTRP-UHFFFAOYSA-N
XLogP1.85
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-prop-1-en-2-yloxycarbonyloxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate?
The IUPAC name of methyl 3-prop-1-en-2-yloxycarbonyloxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate (CID 89362941) is methyl 3-prop-1-en-2-yloxycarbonyloxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-prop-1-en-2-yloxycarbonyloxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-prop-1-en-2-yloxycarbonyloxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate is C=C(C)OC(=O)Oc1noc2c1CCN(C(=O)OC)C2.
What is the InChIKey of methyl 3-prop-1-en-2-yloxycarbonyloxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate?
The InChIKey is DVQUQMJACUOTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6/c1-7(2)18-12(16)19-10-8-4-5-14(11(15)17-3)6-9(8)20-13-10/h1,4-6H2,2-3H3.
What are the key properties of methyl 3-prop-1-en-2-yloxycarbonyloxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate?
methyl 3-prop-1-en-2-yloxycarbonyloxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate has a molecular weight of 282.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-prop-1-en-2-yloxycarbonyloxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 89362941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).