1-N',1-N'-dimethyl-1-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopropane-1,1-dicarboxamide

C13H20N2O3 — CID 136538517

IUPAC1-N',1-N'-dimethyl-1-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopropane-1,1-dicarboxamide
SMILESCN(C)C(=O)C1(C(=O)NC2CC3CCC2O3)CC1
InChIInChI=1S/C13H20N2O3/c1-15(2)12(17)13(5-6-13)11(16)14-9-7-8-3-4-10(9)18-8/h8-10H,3-7H2,1-2H3,(H,14,16)
InChIKeyAGJRQKSYSMOTGJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.29
Rot. Bonds3

About 1-N',1-N'-dimethyl-1-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopropane-1,1-dicarboxamide

1-N',1-N'-dimethyl-1-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopropane-1,1-dicarboxamide (PubChem CID 136538517) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-N',1-N'-dimethyl-1-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N',1-N'-dimethyl-1-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopropane-1,1-dicarboxamide
PubChem CID136538517
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-N',1-N'-dimethyl-1-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopropane-1,1-dicarboxamide
SMILESCN(C)C(=O)C1(C(=O)NC2CC3CCC2O3)CC1
InChIInChI=1S/C13H20N2O3/c1-15(2)12(17)13(5-6-13)11(16)14-9-7-8-3-4-10(9)18-8/h8-10H,3-7H2,1-2H3,(H,14,16)
InChIKeyAGJRQKSYSMOTGJ-UHFFFAOYSA-N
XLogP0.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-dimethyl-1-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N',1-N'-dimethyl-1-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopropane-1,1-dicarboxamide (CID 136538517) is 1-N',1-N'-dimethyl-1-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N',1-N'-dimethyl-1-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N',1-N'-dimethyl-1-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopropane-1,1-dicarboxamide is CN(C)C(=O)C1(C(=O)NC2CC3CCC2O3)CC1.
What is the InChIKey of 1-N',1-N'-dimethyl-1-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopropane-1,1-dicarboxamide?
The InChIKey is AGJRQKSYSMOTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(2)12(17)13(5-6-13)11(16)14-9-7-8-3-4-10(9)18-8/h8-10H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 1-N',1-N'-dimethyl-1-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopropane-1,1-dicarboxamide?
1-N',1-N'-dimethyl-1-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopropane-1,1-dicarboxamide has a molecular weight of 252.31 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-dimethyl-1-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 136538517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).