1-(2-methoxyethyl)-5-prop-2-enylpyrrolidin-2-one

C10H17NO2 — CID 58550039

IUPAC1-(2-methoxyethyl)-5-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1CCC(=O)N1CCOC
InChIInChI=1S/C10H17NO2/c1-3-4-9-5-6-10(12)11(9)7-8-13-2/h3,9H,1,4-8H2,2H3
InChIKeyWSUBHHBVQYAQCB-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds5

About 1-(2-methoxyethyl)-5-prop-2-enylpyrrolidin-2-one

1-(2-methoxyethyl)-5-prop-2-enylpyrrolidin-2-one (PubChem CID 58550039) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-prop-2-enylpyrrolidin-2-one
PubChem CID58550039
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(2-methoxyethyl)-5-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1CCC(=O)N1CCOC
InChIInChI=1S/C10H17NO2/c1-3-4-9-5-6-10(12)11(9)7-8-13-2/h3,9H,1,4-8H2,2H3
InChIKeyWSUBHHBVQYAQCB-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(S)-3-Hept-6-enoyl-4-isopropyl-oxazolidin-2-one
CID 11053746
3-Hept-6-enoyl-1,3-oxazolidin-2-one
CID 91622577
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hept-6-en-1-one
CID 14784817
1-[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]hept-6-en-1-one
CID 14784819
1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]hept-6-en-1-one
CID 14784821
1-[(3S,4S)-3,4-dimethoxypyrrolidin-1-yl]hept-6-en-1-one
CID 14784823
3-(7-Methoxyhept-6-enoyl)-1,3-oxazolidin-2-one
CID 131887030
Ethyl (2-oxo-5-vinyl-1-pyrrolidinyl)acetate
CID 13571235
(4S)-3-[(2S)-2-methylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11032399
3-Hept-6-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22121321
1-(2-Morpholin-4-ylethyl)-5-prop-2-enylpyrrolidin-2-one
CID 58550080
1-(2-Hydroxyethyl)-5-prop-2-enylpyrrolidin-2-one
CID 68146368

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-prop-2-enylpyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-5-prop-2-enylpyrrolidin-2-one (CID 58550039) is 1-(2-methoxyethyl)-5-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-5-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-5-prop-2-enylpyrrolidin-2-one is C=CCC1CCC(=O)N1CCOC.
What is the InChIKey of 1-(2-methoxyethyl)-5-prop-2-enylpyrrolidin-2-one?
The InChIKey is WSUBHHBVQYAQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-9-5-6-10(12)11(9)7-8-13-2/h3,9H,1,4-8H2,2H3.
What are the key properties of 1-(2-methoxyethyl)-5-prop-2-enylpyrrolidin-2-one?
1-(2-methoxyethyl)-5-prop-2-enylpyrrolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 58550039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).