2-methyl-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol

C8H15NO — CID 164654183

IUPAC2-methyl-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol
SMILESC=C(C)C(O)[C@@H]1CCCN1
InChIInChI=1S/C8H15NO/c1-6(2)8(10)7-4-3-5-9-7/h7-10H,1,3-5H2,2H3/t7-,8?/m0/s1
InChIKeyVLPJOGUVHMUJPA-JAMMHHFISA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds2

About 2-methyl-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol

2-methyl-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol (PubChem CID 164654183) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methyl-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol
PubChem CID164654183
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methyl-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol
SMILESC=C(C)C(O)[C@@H]1CCCN1
InChIInChI=1S/C8H15NO/c1-6(2)8(10)7-4-3-5-9-7/h7-10H,1,3-5H2,2H3/t7-,8?/m0/s1
InChIKeyVLPJOGUVHMUJPA-JAMMHHFISA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol 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

1-Pyrrolidin-2-yl-2-(trifluoromethyl)prop-2-en-1-ol
CID 130564671
1-[(2s)-Pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol
CID 164654131
1-[(2r)-Pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol
CID 164662036
Iruleixilfztee-jgvffnpusa-
CID 11355528
(4-Methylidenepyrrolidin-2-yl)methanol
CID 22046683
(1R)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol
CID 55286758
[(2R)-4-methylidenepyrrolidin-2-yl]methanol
CID 55287072
[(2S)-4-methylidenepyrrolidin-2-yl]methanol
CID 55287073
(1R)-1-pyrrolidin-2-ylprop-2-en-1-ol
CID 142507396
Acetylene;ethane;1-pyrrolidin-2-ylprop-2-en-1-ol
CID 142546446
1-[(2S)-4-ethenylpyrrolidin-2-yl]propan-1-ol
CID 144046776
(1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol
CID 155010717

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol?
The IUPAC name of 2-methyl-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol (CID 164654183) is 2-methyl-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol.
What is the SMILES notation for 2-methyl-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol?
The canonical SMILES for 2-methyl-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol is C=C(C)C(O)[C@@H]1CCCN1.
What is the InChIKey of 2-methyl-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol?
The InChIKey is VLPJOGUVHMUJPA-JAMMHHFISA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)8(10)7-4-3-5-9-7/h7-10H,1,3-5H2,2H3/t7-,8?/m0/s1.
What are the key properties of 2-methyl-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol?
2-methyl-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 164654183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).