(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methanimidoylcarbamate

C7H8N2O5 — CID 142348182

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methanimidoylcarbamate
SMILES[H]/N=C/NC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C7H8N2O5/c1-4-5(14-7(11)13-4)2-12-6(10)9-3-8/h3H,2H2,1H3,(H2,8,9,10)
InChIKeySSBJMAHIBYNABL-UHFFFAOYSA-N
MW200.15 g/mol
LogP0.37
Rot. Bonds3

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methanimidoylcarbamate

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methanimidoylcarbamate (PubChem CID 142348182) has the molecular formula C7H8N2O5 and a molecular weight of 200.15 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methanimidoylcarbamate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methanimidoylcarbamate
PubChem CID142348182
Molecular FormulaC7H8N2O5
Molecular Weight200.15 g/mol
Exact Mass200.04
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methanimidoylcarbamate
SMILES[H]/N=C/NC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C7H8N2O5/c1-4-5(14-7(11)13-4)2-12-6(10)9-3-8/h3H,2H2,1H3,(H2,8,9,10)
InChIKeySSBJMAHIBYNABL-UHFFFAOYSA-N
XLogP0.37
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methanimidoylcarbamate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methanimidoylcarbamate (CID 142348182) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methanimidoylcarbamate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methanimidoylcarbamate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methanimidoylcarbamate is [H]/N=C/NC(=O)OCc1oc(=O)oc1C.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methanimidoylcarbamate?
The InChIKey is SSBJMAHIBYNABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O5/c1-4-5(14-7(11)13-4)2-12-6(10)9-3-8/h3H,2H2,1H3,(H2,8,9,10).
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methanimidoylcarbamate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methanimidoylcarbamate has a molecular weight of 200.15 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methanimidoylcarbamate is sourced from PubChem (CID 142348182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).