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

C10H17NO3 — CID 19369325

IUPAC5-[1-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)NC1C(C)C1OCCO1
InChIInChI=1S/C10H17NO3/c1-6-5-8(12)11-9(6)7(2)10-13-3-4-14-10/h6-7,9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeyDSMFHQKGUCEWRD-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.52
Rot. Bonds2

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

5-[1-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one (PubChem CID 19369325) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-[1-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[1-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one
PubChem CID19369325
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name5-[1-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)NC1C(C)C1OCCO1
InChIInChI=1S/C10H17NO3/c1-6-5-8(12)11-9(6)7(2)10-13-3-4-14-10/h6-7,9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeyDSMFHQKGUCEWRD-UHFFFAOYSA-N
XLogP0.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one?
The IUPAC name of 5-[1-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one (CID 19369325) is 5-[1-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[1-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for 5-[1-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one is CC1CC(=O)NC1C(C)C1OCCO1.
What is the InChIKey of 5-[1-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one?
The InChIKey is DSMFHQKGUCEWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6-5-8(12)11-9(6)7(2)10-13-3-4-14-10/h6-7,9-10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 5-[1-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one?
5-[1-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one has a molecular weight of 199.25 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 19369325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).