N-(1-cyanopropan-2-yl)-N,2,4,5-tetramethyloxolane-3-carboxamide

C13H22N2O2 — CID 65156263

IUPACN-(1-cyanopropan-2-yl)-N,2,4,5-tetramethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(C)C(C)CC#N)C1C
InChIInChI=1S/C13H22N2O2/c1-8(6-7-14)15(5)13(16)12-9(2)10(3)17-11(12)4/h8-12H,6H2,1-5H3
InChIKeyJWNQQJJHJONPTO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.81
Rot. Bonds3

About N-(1-cyanopropan-2-yl)-N,2,4,5-tetramethyloxolane-3-carboxamide

N-(1-cyanopropan-2-yl)-N,2,4,5-tetramethyloxolane-3-carboxamide (PubChem CID 65156263) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-N,2,4,5-tetramethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-N,2,4,5-tetramethyloxolane-3-carboxamide
PubChem CID65156263
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(1-cyanopropan-2-yl)-N,2,4,5-tetramethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(C)C(C)CC#N)C1C
InChIInChI=1S/C13H22N2O2/c1-8(6-7-14)15(5)13(16)12-9(2)10(3)17-11(12)4/h8-12H,6H2,1-5H3
InChIKeyJWNQQJJHJONPTO-UHFFFAOYSA-N
XLogP1.81
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-N,2,4,5-tetramethyloxolane-3-carboxamide (CID 65156263) is N-(1-cyanopropan-2-yl)-N,2,4,5-tetramethyloxolane-3-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-N,2,4,5-tetramethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)N(C)C(C)CC#N)C1C.
What is the InChIKey of N-(1-cyanopropan-2-yl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
The InChIKey is JWNQQJJHJONPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8(6-7-14)15(5)13(16)12-9(2)10(3)17-11(12)4/h8-12H,6H2,1-5H3.
What are the key properties of N-(1-cyanopropan-2-yl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
N-(1-cyanopropan-2-yl)-N,2,4,5-tetramethyloxolane-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-N,2,4,5-tetramethyloxolane-3-carboxamide is sourced from PubChem (CID 65156263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).