2-[(2S,4S)-4-methyl-3-methylidenepyrrolidin-2-yl]ethanol

C8H15NO — CID 44825384

IUPAC2-[(2S,4S)-4-methyl-3-methylidenepyrrolidin-2-yl]ethanol
SMILESC=C1[C@H](C)CN[C@H]1CCO
InChIInChI=1S/C8H15NO/c1-6-5-9-8(3-4-10)7(6)2/h6,8-10H,2-5H2,1H3/t6-,8+/m1/s1
InChIKeyIIRBJVHGDZTBLL-SVRRBLITSA-N
MW141.21 g/mol
LogP0.53
Rot. Bonds2

About 2-[(2S,4S)-4-methyl-3-methylidenepyrrolidin-2-yl]ethanol

2-[(2S,4S)-4-methyl-3-methylidenepyrrolidin-2-yl]ethanol (PubChem CID 44825384) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-[(2S,4S)-4-methyl-3-methylidenepyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,4S)-4-methyl-3-methylidenepyrrolidin-2-yl]ethanol
PubChem CID44825384
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-[(2S,4S)-4-methyl-3-methylidenepyrrolidin-2-yl]ethanol
SMILESC=C1[C@H](C)CN[C@H]1CCO
InChIInChI=1S/C8H15NO/c1-6-5-9-8(3-4-10)7(6)2/h6,8-10H,2-5H2,1H3/t6-,8+/m1/s1
InChIKeyIIRBJVHGDZTBLL-SVRRBLITSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2S,4S)-4-methyl-3-methylidenepyrrolidin-2-yl]ethanol 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 2-[(2S,4S)-4-methyl-3-methylidenepyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[(2S,4S)-4-methyl-3-methylidenepyrrolidin-2-yl]ethanol (CID 44825384) is 2-[(2S,4S)-4-methyl-3-methylidenepyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S,4S)-4-methyl-3-methylidenepyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[(2S,4S)-4-methyl-3-methylidenepyrrolidin-2-yl]ethanol is C=C1[C@H](C)CN[C@H]1CCO.
What is the InChIKey of 2-[(2S,4S)-4-methyl-3-methylidenepyrrolidin-2-yl]ethanol?
The InChIKey is IIRBJVHGDZTBLL-SVRRBLITSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-5-9-8(3-4-10)7(6)2/h6,8-10H,2-5H2,1H3/t6-,8+/m1/s1.
What are the key properties of 2-[(2S,4S)-4-methyl-3-methylidenepyrrolidin-2-yl]ethanol?
2-[(2S,4S)-4-methyl-3-methylidenepyrrolidin-2-yl]ethanol has a molecular weight of 141.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-4-methyl-3-methylidenepyrrolidin-2-yl]ethanol is sourced from PubChem (CID 44825384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).