2-hydroxy-1-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]ethanone

C10H17NO2 — CID 59739764

IUPAC2-hydroxy-1-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]ethanone
SMILESC=CCC1CC[C@@H](C)N1C(=O)CO
InChIInChI=1S/C10H17NO2/c1-3-4-9-6-5-8(2)11(9)10(13)7-12/h3,8-9,12H,1,4-7H2,2H3/t8-,9?/m1/s1
InChIKeyFIEIPFJZBWLLJN-VEDVMXKPSA-N
MW183.25 g/mol
LogP0.93
Rot. Bonds3

About 2-hydroxy-1-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]ethanone

2-hydroxy-1-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]ethanone (PubChem CID 59739764) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-hydroxy-1-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]ethanone
PubChem CID59739764
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-hydroxy-1-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]ethanone
SMILESC=CCC1CC[C@@H](C)N1C(=O)CO
InChIInChI=1S/C10H17NO2/c1-3-4-9-6-5-8(2)11(9)10(13)7-12/h3,8-9,12H,1,4-7H2,2H3/t8-,9?/m1/s1
InChIKeyFIEIPFJZBWLLJN-VEDVMXKPSA-N
XLogP0.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S,3R)-3-hydroxy-2-pent-4-enylpyrrolidin-1-yl]ethanone
CID 89921724
1-(3-Hydroxy-2-pent-4-enylpyrrolidin-1-yl)ethanone
CID 123511978
(2R)-1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-hydroxypropan-1-one
CID 130652334

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]ethanone (CID 59739764) is 2-hydroxy-1-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]ethanone is C=CCC1CC[C@@H](C)N1C(=O)CO.
What is the InChIKey of 2-hydroxy-1-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]ethanone?
The InChIKey is FIEIPFJZBWLLJN-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-9-6-5-8(2)11(9)10(13)7-12/h3,8-9,12H,1,4-7H2,2H3/t8-,9?/m1/s1.
What are the key properties of 2-hydroxy-1-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]ethanone?
2-hydroxy-1-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]ethanone has a molecular weight of 183.25 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 59739764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).