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

C10H17NO3 — CID 54200185

IUPAC(4S,5R)-5-[2-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one
SMILESC[C@H]1CC(=O)N[C@@H]1CCC1OCCO1
InChIInChI=1S/C10H17NO3/c1-7-6-9(12)11-8(7)2-3-10-13-4-5-14-10/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-,8+/m0/s1
InChIKeyPORHWWZIFBMLCU-JGVFFNPUSA-N
MW199.25 g/mol
LogP0.66
Rot. Bonds3

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

(4S,5R)-5-[2-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one (PubChem CID 54200185) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (4S,5R)-5-[2-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[2-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one
PubChem CID54200185
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(4S,5R)-5-[2-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one
SMILESC[C@H]1CC(=O)N[C@@H]1CCC1OCCO1
InChIInChI=1S/C10H17NO3/c1-7-6-9(12)11-8(7)2-3-10-13-4-5-14-10/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-,8+/m0/s1
InChIKeyPORHWWZIFBMLCU-JGVFFNPUSA-N
XLogP0.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[2-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one?
The IUPAC name of (4S,5R)-5-[2-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one (CID 54200185) is (4S,5R)-5-[2-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[2-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for (4S,5R)-5-[2-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one is C[C@H]1CC(=O)N[C@@H]1CCC1OCCO1.
What is the InChIKey of (4S,5R)-5-[2-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one?
The InChIKey is PORHWWZIFBMLCU-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-6-9(12)11-8(7)2-3-10-13-4-5-14-10/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-,8+/m0/s1.
What are the key properties of (4S,5R)-5-[2-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one?
(4S,5R)-5-[2-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one has a molecular weight of 199.25 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[2-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 54200185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).