[(2S)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol

C10H19NO — CID 14729394

IUPAC[(2S)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol
SMILESCC(C)=CCN1CCC[C@H]1CO
InChIInChI=1S/C10H19NO/c1-9(2)5-7-11-6-3-4-10(11)8-12/h5,10,12H,3-4,6-8H2,1-2H3/t10-/m0/s1
InChIKeyJEJQWGYJHWEVEX-JTQLQIEISA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds3

About [(2S)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol

[(2S)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol (PubChem CID 14729394) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [(2S)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol
PubChem CID14729394
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[(2S)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol
SMILESCC(C)=CCN1CCC[C@H]1CO
InChIInChI=1S/C10H19NO/c1-9(2)5-7-11-6-3-4-10(11)8-12/h5,10,12H,3-4,6-8H2,1-2H3/t10-/m0/s1
InChIKeyJEJQWGYJHWEVEX-JTQLQIEISA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2S)-1-(3-methylbut-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

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol (CID 14729394) is [(2S)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol is CC(C)=CCN1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol?
The InChIKey is JEJQWGYJHWEVEX-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)5-7-11-6-3-4-10(11)8-12/h5,10,12H,3-4,6-8H2,1-2H3/t10-/m0/s1.
What are the key properties of [(2S)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 14729394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).