5-[2-(1,3-dioxolan-2-yl)propyl]-4-methylpyrrolidin-2-one

C11H19NO3 — CID 19369200

IUPAC5-[2-(1,3-dioxolan-2-yl)propyl]-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)NC1CC(C)C1OCCO1
InChIInChI=1S/C11H19NO3/c1-7-6-10(13)12-9(7)5-8(2)11-14-3-4-15-11/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyHTHPRXCNVSVDLZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.91
Rot. Bonds3

About 5-[2-(1,3-dioxolan-2-yl)propyl]-4-methylpyrrolidin-2-one

5-[2-(1,3-dioxolan-2-yl)propyl]-4-methylpyrrolidin-2-one (PubChem CID 19369200) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-[2-(1,3-dioxolan-2-yl)propyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-(1,3-dioxolan-2-yl)propyl]-4-methylpyrrolidin-2-one
PubChem CID19369200
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name5-[2-(1,3-dioxolan-2-yl)propyl]-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)NC1CC(C)C1OCCO1
InChIInChI=1S/C11H19NO3/c1-7-6-10(13)12-9(7)5-8(2)11-14-3-4-15-11/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyHTHPRXCNVSVDLZ-UHFFFAOYSA-N
XLogP0.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-dioxolan-2-yl)propyl]-4-methylpyrrolidin-2-one?
The IUPAC name of 5-[2-(1,3-dioxolan-2-yl)propyl]-4-methylpyrrolidin-2-one (CID 19369200) is 5-[2-(1,3-dioxolan-2-yl)propyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[2-(1,3-dioxolan-2-yl)propyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for 5-[2-(1,3-dioxolan-2-yl)propyl]-4-methylpyrrolidin-2-one is CC1CC(=O)NC1CC(C)C1OCCO1.
What is the InChIKey of 5-[2-(1,3-dioxolan-2-yl)propyl]-4-methylpyrrolidin-2-one?
The InChIKey is HTHPRXCNVSVDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7-6-10(13)12-9(7)5-8(2)11-14-3-4-15-11/h7-9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 5-[2-(1,3-dioxolan-2-yl)propyl]-4-methylpyrrolidin-2-one?
5-[2-(1,3-dioxolan-2-yl)propyl]-4-methylpyrrolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,3-dioxolan-2-yl)propyl]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 19369200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).