(5R)-5-(1-methoxyethenyl)pyrrolidin-2-one

C7H11NO2 — CID 163600352

IUPAC(5R)-5-(1-methoxyethenyl)pyrrolidin-2-one
SMILESC=C(OC)[C@H]1CCC(=O)N1
InChIInChI=1S/C7H11NO2/c1-5(10-2)6-3-4-7(9)8-6/h6H,1,3-4H2,2H3,(H,8,9)/t6-/m1/s1
InChIKeyGXBFUVDSMVARIW-ZCFIWIBFSA-N
MW141.17 g/mol
LogP0.43
Rot. Bonds2

About (5R)-5-(1-methoxyethenyl)pyrrolidin-2-one

(5R)-5-(1-methoxyethenyl)pyrrolidin-2-one (PubChem CID 163600352) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (5R)-5-(1-methoxyethenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(1-methoxyethenyl)pyrrolidin-2-one
PubChem CID163600352
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(5R)-5-(1-methoxyethenyl)pyrrolidin-2-one
SMILESC=C(OC)[C@H]1CCC(=O)N1
InChIInChI=1S/C7H11NO2/c1-5(10-2)6-3-4-7(9)8-6/h6H,1,3-4H2,2H3,(H,8,9)/t6-/m1/s1
InChIKeyGXBFUVDSMVARIW-ZCFIWIBFSA-N
XLogP0.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-5-oxopyrrolidine-2-carboxylate;methyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 159600459
(2R)-5-oxopyrrolidine-2-carbonyl iodide
CID 89494882
(2S,7S,12S)-5,10,15,20-tetraoxo-1,6,11,16-tetrazacycloicosane-2,7,12,17-tetracarboxylic acid
CID 177496276
(2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid
CID 76973407
[(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 162899358
methyl 2-(4-oxoazetidin-2-yl)prop-2-enoate
CID 54242432
(2S)-N-methyl-5-oxopyrrolidine-2-carboxamide;molecular hydrogen
CID 159147898
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 103933214
(2R)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 103895358
(2S)-5-oxopyrrolidine-2-carboxylate
CID 5289118
iron;bis((2S)-5-oxopyrrolidine-2-carboxylic acid)
CID 90659612
chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid)
CID 170846266

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-methoxyethenyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-(1-methoxyethenyl)pyrrolidin-2-one (CID 163600352) is (5R)-5-(1-methoxyethenyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(1-methoxyethenyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(1-methoxyethenyl)pyrrolidin-2-one is C=C(OC)[C@H]1CCC(=O)N1.
What is the InChIKey of (5R)-5-(1-methoxyethenyl)pyrrolidin-2-one?
The InChIKey is GXBFUVDSMVARIW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(10-2)6-3-4-7(9)8-6/h6H,1,3-4H2,2H3,(H,8,9)/t6-/m1/s1.
What are the key properties of (5R)-5-(1-methoxyethenyl)pyrrolidin-2-one?
(5R)-5-(1-methoxyethenyl)pyrrolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1-methoxyethenyl)pyrrolidin-2-one is sourced from PubChem (CID 163600352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).