[7-(dimethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N,N-dimethylcarbamate

C15H22N2O5 — CID 20652160

IUPAC[7-(dimethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1OC=C(C(=O)N(C)C)C2CC3OC3(C)C12
InChIInChI=1S/C15H22N2O5/c1-15-10(22-15)6-8-9(12(18)16(2)3)7-20-13(11(8)15)21-14(19)17(4)5/h7-8,10-11,13H,6H2,1-5H3
InChIKeyVURHHQXONSDHSQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.81
Rot. Bonds2

About [7-(dimethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N,N-dimethylcarbamate

[7-(dimethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N,N-dimethylcarbamate (PubChem CID 20652160) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is [7-(dimethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[7-(dimethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N,N-dimethylcarbamate
PubChem CID20652160
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name[7-(dimethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1OC=C(C(=O)N(C)C)C2CC3OC3(C)C12
InChIInChI=1S/C15H22N2O5/c1-15-10(22-15)6-8-9(12(18)16(2)3)7-20-13(11(8)15)21-14(19)17(4)5/h7-8,10-11,13H,6H2,1-5H3
InChIKeyVURHHQXONSDHSQ-UHFFFAOYSA-N
XLogP0.81
TPSA71.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [7-(dimethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N,N-dimethylcarbamate?
The IUPAC name of [7-(dimethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N,N-dimethylcarbamate (CID 20652160) is [7-(dimethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [7-(dimethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N,N-dimethylcarbamate?
The canonical SMILES for [7-(dimethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N,N-dimethylcarbamate is CN(C)C(=O)OC1OC=C(C(=O)N(C)C)C2CC3OC3(C)C12.
What is the InChIKey of [7-(dimethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N,N-dimethylcarbamate?
The InChIKey is VURHHQXONSDHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-15-10(22-15)6-8-9(12(18)16(2)3)7-20-13(11(8)15)21-14(19)17(4)5/h7-8,10-11,13H,6H2,1-5H3.
What are the key properties of [7-(dimethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N,N-dimethylcarbamate?
[7-(dimethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N,N-dimethylcarbamate has a molecular weight of 310.35 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(dimethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 20652160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).