3-(dimethoxymethyl)pyrrolidin-2-one

C7H13NO3 — CID 10080646

IUPAC3-(dimethoxymethyl)pyrrolidin-2-one
SMILESCOC(OC)C1CCNC1=O
InChIInChI=1S/C7H13NO3/c1-10-7(11-2)5-3-4-8-6(5)9/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyCHWAQSAJSZAOQJ-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.26
Rot. Bonds3

About 3-(dimethoxymethyl)pyrrolidin-2-one

3-(dimethoxymethyl)pyrrolidin-2-one (PubChem CID 10080646) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3-(dimethoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(dimethoxymethyl)pyrrolidin-2-one
PubChem CID10080646
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3-(dimethoxymethyl)pyrrolidin-2-one
SMILESCOC(OC)C1CCNC1=O
InChIInChI=1S/C7H13NO3/c1-10-7(11-2)5-3-4-8-6(5)9/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyCHWAQSAJSZAOQJ-UHFFFAOYSA-N
XLogP-0.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethyl)pyrrolidin-2-one?
The IUPAC name of 3-(dimethoxymethyl)pyrrolidin-2-one (CID 10080646) is 3-(dimethoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(dimethoxymethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(dimethoxymethyl)pyrrolidin-2-one is COC(OC)C1CCNC1=O.
What is the InChIKey of 3-(dimethoxymethyl)pyrrolidin-2-one?
The InChIKey is CHWAQSAJSZAOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-10-7(11-2)5-3-4-8-6(5)9/h5,7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 3-(dimethoxymethyl)pyrrolidin-2-one?
3-(dimethoxymethyl)pyrrolidin-2-one has a molecular weight of 159.18 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 10080646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).