4-ethylpyrrolidin-2-one;2-methylpropane;propane

C13H29NO — CID 144516344

IUPAC4-ethylpyrrolidin-2-one;2-methylpropane;propane
SMILESCC(C)C.CCC.CCC1CNC(=O)C1
InChIInChI=1S/C6H11NO.C4H10.C3H8/c1-2-5-3-6(8)7-4-5;1-4(2)3;1-3-2/h5H,2-4H2,1H3,(H,7,8);4H,1-3H3;3H2,1-2H3
InChIKeyVUTKGXPUSTWKFJ-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.61
Rot. Bonds1

About 4-ethylpyrrolidin-2-one;2-methylpropane;propane

4-ethylpyrrolidin-2-one;2-methylpropane;propane (PubChem CID 144516344) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 4-ethylpyrrolidin-2-one;2-methylpropane;propane.

Molecular Properties

Compound Name4-ethylpyrrolidin-2-one;2-methylpropane;propane
PubChem CID144516344
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name4-ethylpyrrolidin-2-one;2-methylpropane;propane
SMILESCC(C)C.CCC.CCC1CNC(=O)C1
InChIInChI=1S/C6H11NO.C4H10.C3H8/c1-2-5-3-6(8)7-4-5;1-4(2)3;1-3-2/h5H,2-4H2,1H3,(H,7,8);4H,1-3H3;3H2,1-2H3
InChIKeyVUTKGXPUSTWKFJ-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethylpyrrolidin-2-one;2-methylpropane;propane?
The IUPAC name of 4-ethylpyrrolidin-2-one;2-methylpropane;propane (CID 144516344) is 4-ethylpyrrolidin-2-one;2-methylpropane;propane.
What is the SMILES notation for 4-ethylpyrrolidin-2-one;2-methylpropane;propane?
The canonical SMILES for 4-ethylpyrrolidin-2-one;2-methylpropane;propane is CC(C)C.CCC.CCC1CNC(=O)C1.
What is the InChIKey of 4-ethylpyrrolidin-2-one;2-methylpropane;propane?
The InChIKey is VUTKGXPUSTWKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C4H10.C3H8/c1-2-5-3-6(8)7-4-5;1-4(2)3;1-3-2/h5H,2-4H2,1H3,(H,7,8);4H,1-3H3;3H2,1-2H3.
What are the key properties of 4-ethylpyrrolidin-2-one;2-methylpropane;propane?
4-ethylpyrrolidin-2-one;2-methylpropane;propane has a molecular weight of 215.38 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpyrrolidin-2-one;2-methylpropane;propane is sourced from PubChem (CID 144516344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).