(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one

C11H19NO2 — CID 118867110

IUPAC(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one
SMILESC=CC[C@@H](C)C(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C11H19NO2/c1-3-5-9(2)11(14)12-7-4-6-10(12)8-13/h3,9-10,13H,1,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyBFJPASKKCMPZIF-NXEZZACHSA-N
MW197.28 g/mol
LogP1.18
Rot. Bonds4

About (2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one

(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one (PubChem CID 118867110) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one.

Molecular Properties

Compound Name(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one
PubChem CID118867110
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one
SMILESC=CC[C@@H](C)C(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C11H19NO2/c1-3-5-9(2)11(14)12-7-4-6-10(12)8-13/h3,9-10,13H,1,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyBFJPASKKCMPZIF-NXEZZACHSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-isovaleryl-l-prolinol
CID 28345604
(R)-1-((S)-2-(hydroxymethyl)pyrrolidin-1-yl)-2-methylpent-4-en-1-one
CID 12619540
(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one
CID 12619541
(5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one
CID 10797544
(5R)-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one
CID 15722753
(5S)-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one
CID 15722754
(2R,3R)-2-hydroxy-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpent-4-en-1-one
CID 134930934
(2R,3S)-2-hydroxy-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpent-4-en-1-one
CID 134931808
2-ethenyl-2-hydroxy-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 134988052
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylcyclohexa-2,5-dien-1-yl)methanone
CID 135042881
cyclopent-3-en-1-yl-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 126768201
1-[(2R,5R)-2-ethenyl-5-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 102184615

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one?
The IUPAC name of (2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one (CID 118867110) is (2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one.
What is the SMILES notation for (2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one?
The canonical SMILES for (2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one is C=CC[C@@H](C)C(=O)N1CCC[C@@H]1CO.
What is the InChIKey of (2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one?
The InChIKey is BFJPASKKCMPZIF-NXEZZACHSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-5-9(2)11(14)12-7-4-6-10(12)8-13/h3,9-10,13H,1,4-8H2,2H3/t9-,10-/m1/s1.
What are the key properties of (2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one?
(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one is sourced from PubChem (CID 118867110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).