(E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-ol

C9H17NO — CID 162375504

IUPAC(E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-ol
SMILESC/C=C/C(O)[C@@H]1CCCN1C
InChIInChI=1S/C9H17NO/c1-3-5-9(11)8-6-4-7-10(8)2/h3,5,8-9,11H,4,6-7H2,1-2H3/b5-3+/t8-,9?/m0/s1
InChIKeyAWYOISYUZGPEPL-OEDLVWHNSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds2

About (E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-ol

(E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-ol (PubChem CID 162375504) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-ol
PubChem CID162375504
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-ol
SMILESC/C=C/C(O)[C@@H]1CCCN1C
InChIInChI=1S/C9H17NO/c1-3-5-9(11)8-6-4-7-10(8)2/h3,5,8-9,11H,4,6-7H2,1-2H3/b5-3+/t8-,9?/m0/s1
InChIKeyAWYOISYUZGPEPL-OEDLVWHNSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-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

[(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol
CID 102119727
3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]prop-2-en-1-ol
CID 53897969
1-(1-Prop-2-enylpyrrolidin-2-yl)prop-2-en-1-ol
CID 75244800
1-Cyclohepta-1,3,5-trien-1-yl-2-pyrrolidin-1-ylpropan-1-ol;ethane
CID 142823073
6,8-Dimethyl-6-azabicyclo[3.2.1]oct-2-en-4-ol
CID 166882189
(1S)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol
CID 168910900
(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol
CID 170089631
1-[(2S)-1-methylpyrrolidin-2-yl]pent-4-en-1-ol
CID 172108325
1-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-1-ol
CID 172108466
(5S)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-ol
CID 176046782
(E)-1-(1-propan-2-ylpyrrolidin-2-yl)-2-[(Z)-prop-1-enyl]pent-2-en-1-ol
CID 177955388
(8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol
CID 10374532

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-ol?
The IUPAC name of (E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-ol (CID 162375504) is (E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-ol.
What is the SMILES notation for (E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-ol?
The canonical SMILES for (E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-ol is C/C=C/C(O)[C@@H]1CCCN1C.
What is the InChIKey of (E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-ol?
The InChIKey is AWYOISYUZGPEPL-OEDLVWHNSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-9(11)8-6-4-7-10(8)2/h3,5,8-9,11H,4,6-7H2,1-2H3/b5-3+/t8-,9?/m0/s1.
What are the key properties of (E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-ol?
(E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-ol is sourced from PubChem (CID 162375504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).