5-methoxy-3,3-dimethylpyrrolidin-2-one

C7H13NO2 — CID 565995

IUPAC5-methoxy-3,3-dimethylpyrrolidin-2-one
SMILESCOC1CC(C)(C)C(=O)N1
InChIInChI=1S/C7H13NO2/c1-7(2)4-5(10-3)8-6(7)9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyYRNGKIJRDFUSRO-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.50
Rot. Bonds1

About 5-methoxy-3,3-dimethylpyrrolidin-2-one

5-methoxy-3,3-dimethylpyrrolidin-2-one (PubChem CID 565995) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-methoxy-3,3-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name5-methoxy-3,3-dimethylpyrrolidin-2-one
PubChem CID565995
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name5-methoxy-3,3-dimethylpyrrolidin-2-one
SMILESCOC1CC(C)(C)C(=O)N1
InChIInChI=1S/C7H13NO2/c1-7(2)4-5(10-3)8-6(7)9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyYRNGKIJRDFUSRO-UHFFFAOYSA-N
XLogP0.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pterolactam
CID 181561
(5R)-5-methoxypyrrolidin-2-one
CID 643445
3-(Methoxymethyl)pyrrolidin-2-one
CID 10351722
2-Oxa-6-azaspiro(3.4)octan-7-one
CID 53484295
4-(Hydroxymethyl)-4-methylpyrrolidin-2-one
CID 75476846
2-Oxa-6-azaspiro(3.4)octan-5-one
CID 130138944
5-Ethoxy-2-pyrrolidinone
CID 3580555
5-(1-Butyloxy) pyrrolidin-2-one
CID 15696557
5-Hydroxy-4,4-dimethylpyrrolidin-2-one
CID 12394619
5-Hydroxy-3,3-dimethylpyrrolidin-2-one
CID 12394642
(s)-5-Methoxypyrrolidin-2-one
CID 40577037
(5S)-5-ethoxypyrrolidin-2-one
CID 7098911

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,3-dimethylpyrrolidin-2-one?
The IUPAC name of 5-methoxy-3,3-dimethylpyrrolidin-2-one (CID 565995) is 5-methoxy-3,3-dimethylpyrrolidin-2-one.
What is the SMILES notation for 5-methoxy-3,3-dimethylpyrrolidin-2-one?
The canonical SMILES for 5-methoxy-3,3-dimethylpyrrolidin-2-one is COC1CC(C)(C)C(=O)N1.
What is the InChIKey of 5-methoxy-3,3-dimethylpyrrolidin-2-one?
The InChIKey is YRNGKIJRDFUSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)4-5(10-3)8-6(7)9/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of 5-methoxy-3,3-dimethylpyrrolidin-2-one?
5-methoxy-3,3-dimethylpyrrolidin-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,3-dimethylpyrrolidin-2-one is sourced from PubChem (CID 565995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).