[(2S)-5,5-bis(prop-2-enyl)pyrrolidin-2-yl]methanol

C11H19NO — CID 25155273

IUPAC[(2S)-5,5-bis(prop-2-enyl)pyrrolidin-2-yl]methanol
SMILESC=CCC1(CC=C)CC[C@@H](CO)N1
InChIInChI=1S/C11H19NO/c1-3-6-11(7-4-2)8-5-10(9-13)12-11/h3-4,10,12-13H,1-2,5-9H2/t10-/m0/s1
InChIKeyOELXLSJFZZIYAB-JTQLQIEISA-N
MW181.28 g/mol
LogP1.62
Rot. Bonds5

About [(2S)-5,5-bis(prop-2-enyl)pyrrolidin-2-yl]methanol

[(2S)-5,5-bis(prop-2-enyl)pyrrolidin-2-yl]methanol (PubChem CID 25155273) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is [(2S)-5,5-bis(prop-2-enyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-5,5-bis(prop-2-enyl)pyrrolidin-2-yl]methanol
PubChem CID25155273
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name[(2S)-5,5-bis(prop-2-enyl)pyrrolidin-2-yl]methanol
SMILESC=CCC1(CC=C)CC[C@@H](CO)N1
InChIInChI=1S/C11H19NO/c1-3-6-11(7-4-2)8-5-10(9-13)12-11/h3-4,10,12-13H,1-2,5-9H2/t10-/m0/s1
InChIKeyOELXLSJFZZIYAB-JTQLQIEISA-N
XLogP1.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2S)-5,5-bis(prop-2-enyl)pyrrolidin-2-yl]methanol 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

[(2R,4R,5S)-4-fluoro-5-methyl-2-prop-1-en-2-ylpyrrolidin-2-yl]methanol
CID 155002885
[4-Fluoro-5-methyl-2-(2-methylidenebutyl)pyrrolidin-2-yl]methanol
CID 169560364
(1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol
CID 134855574
[(2S,4R)-4-prop-2-enylpyrrolidin-2-yl]methanol
CID 55287065
[(2S,4S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol
CID 56618141
[(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol
CID 70072919
[2-(Prop-2-en-1-yl)pyrrolidin-2-yl]methanol
CID 78069313
5-(5-Hydroxypentylamino)-5-prop-2-enyloct-7-en-1-ol
CID 87687512
(6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol
CID 89219129
(R)-(4,4-diallylpyrrolidin-2-yl)methanol
CID 118343076
[4,4-Bis(prop-2-enyl)pyrrolidin-2-yl]methanol
CID 118343079
(1R)-1-[(4S)-4-methyl-5-prop-2-enylpyrrolidin-2-yl]ethanol
CID 130455913

Frequently Asked Questions

What is the IUPAC name of [(2S)-5,5-bis(prop-2-enyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-5,5-bis(prop-2-enyl)pyrrolidin-2-yl]methanol (CID 25155273) is [(2S)-5,5-bis(prop-2-enyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-5,5-bis(prop-2-enyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-5,5-bis(prop-2-enyl)pyrrolidin-2-yl]methanol is C=CCC1(CC=C)CC[C@@H](CO)N1.
What is the InChIKey of [(2S)-5,5-bis(prop-2-enyl)pyrrolidin-2-yl]methanol?
The InChIKey is OELXLSJFZZIYAB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NO/c1-3-6-11(7-4-2)8-5-10(9-13)12-11/h3-4,10,12-13H,1-2,5-9H2/t10-/m0/s1.
What are the key properties of [(2S)-5,5-bis(prop-2-enyl)pyrrolidin-2-yl]methanol?
[(2S)-5,5-bis(prop-2-enyl)pyrrolidin-2-yl]methanol has a molecular weight of 181.28 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5,5-bis(prop-2-enyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 25155273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).