N-tert-butyl-2,2-dimethyl-5-oxooxolane-3-carboxamide

C11H19NO3 — CID 2959283

IUPACN-tert-butyl-2,2-dimethyl-5-oxooxolane-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(=O)OC1(C)C
InChIInChI=1S/C11H19NO3/c1-10(2,3)12-9(14)7-6-8(13)15-11(7,4)5/h7H,6H2,1-5H3,(H,12,14)
InChIKeyWMQVXLKQFLSCJV-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.24
Rot. Bonds1

About N-tert-butyl-2,2-dimethyl-5-oxooxolane-3-carboxamide

N-tert-butyl-2,2-dimethyl-5-oxooxolane-3-carboxamide (PubChem CID 2959283) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethyl-5-oxooxolane-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethyl-5-oxooxolane-3-carboxamide
PubChem CID2959283
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC NameN-tert-butyl-2,2-dimethyl-5-oxooxolane-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(=O)OC1(C)C
InChIInChI=1S/C11H19NO3/c1-10(2,3)12-9(14)7-6-8(13)15-11(7,4)5/h7H,6H2,1-5H3,(H,12,14)
InChIKeyWMQVXLKQFLSCJV-UHFFFAOYSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethyl-5-oxooxolane-3-carboxamide?
The IUPAC name of N-tert-butyl-2,2-dimethyl-5-oxooxolane-3-carboxamide (CID 2959283) is N-tert-butyl-2,2-dimethyl-5-oxooxolane-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2,2-dimethyl-5-oxooxolane-3-carboxamide?
The canonical SMILES for N-tert-butyl-2,2-dimethyl-5-oxooxolane-3-carboxamide is CC(C)(C)NC(=O)C1CC(=O)OC1(C)C.
What is the InChIKey of N-tert-butyl-2,2-dimethyl-5-oxooxolane-3-carboxamide?
The InChIKey is WMQVXLKQFLSCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)12-9(14)7-6-8(13)15-11(7,4)5/h7H,6H2,1-5H3,(H,12,14).
What are the key properties of N-tert-butyl-2,2-dimethyl-5-oxooxolane-3-carboxamide?
N-tert-butyl-2,2-dimethyl-5-oxooxolane-3-carboxamide has a molecular weight of 213.28 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethyl-5-oxooxolane-3-carboxamide is sourced from PubChem (CID 2959283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).