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

C10H19NO — CID 62733481

IUPAC[(2R)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol
SMILESCC(=CCN1CCC[C@@H]1CO)C
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-/m1/s1
InChIKeyJEJQWGYJHWEVEX-SNVBAGLBSA-N
MW169.26 g/mol
LogP1.60
Rot. Bonds3

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

[(2R)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol (PubChem CID 62733481) has the molecular formula C10H19NO and a molecular weight of 169.26 g/mol. Its IUPAC name is [(2R)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol
PubChem CID62733481
Molecular FormulaC10H19NO
Molecular Weight169.26 g/mol
Exact Mass169.15
IUPAC Name[(2R)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol
SMILESCC(=CCN1CCC[C@@H]1CO)C
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-/m1/s1
InChIKeyJEJQWGYJHWEVEX-SNVBAGLBSA-N
XLogP1.60
TPSA23.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity161

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol (CID 62733481) is [(2R)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol is CC(=CCN1CCC[C@@H]1CO)C.
What is the InChIKey of [(2R)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol?
The InChIKey is JEJQWGYJHWEVEX-SNVBAGLBSA-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-/m1/s1.
What are the key properties of [(2R)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol?
[(2R)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol has a molecular weight of 169.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62733481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).