3-methyl-1-(2-methylpyrrolidin-2-yl)but-2-en-1-ol

C10H19NO — CID 164650096

IUPAC3-methyl-1-(2-methylpyrrolidin-2-yl)but-2-en-1-ol
SMILESCC(C)=CC(O)C1(C)CCCN1
InChIInChI=1S/C10H19NO/c1-8(2)7-9(12)10(3)5-4-6-11-10/h7,9,11-12H,4-6H2,1-3H3
InChIKeyWIXCNDGCXCLVKK-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds2

About 3-methyl-1-(2-methylpyrrolidin-2-yl)but-2-en-1-ol

3-methyl-1-(2-methylpyrrolidin-2-yl)but-2-en-1-ol (PubChem CID 164650096) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpyrrolidin-2-yl)but-2-en-1-ol.

Molecular Properties

Compound Name3-methyl-1-(2-methylpyrrolidin-2-yl)but-2-en-1-ol
PubChem CID164650096
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-1-(2-methylpyrrolidin-2-yl)but-2-en-1-ol
SMILESCC(C)=CC(O)C1(C)CCCN1
InChIInChI=1S/C10H19NO/c1-8(2)7-9(12)10(3)5-4-6-11-10/h7,9,11-12H,4-6H2,1-3H3
InChIKeyWIXCNDGCXCLVKK-UHFFFAOYSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
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 3-methyl-1-(2-methylpyrrolidin-2-yl)but-2-en-1-ol?
The IUPAC name of 3-methyl-1-(2-methylpyrrolidin-2-yl)but-2-en-1-ol (CID 164650096) is 3-methyl-1-(2-methylpyrrolidin-2-yl)but-2-en-1-ol.
What is the SMILES notation for 3-methyl-1-(2-methylpyrrolidin-2-yl)but-2-en-1-ol?
The canonical SMILES for 3-methyl-1-(2-methylpyrrolidin-2-yl)but-2-en-1-ol is CC(C)=CC(O)C1(C)CCCN1.
What is the InChIKey of 3-methyl-1-(2-methylpyrrolidin-2-yl)but-2-en-1-ol?
The InChIKey is WIXCNDGCXCLVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)7-9(12)10(3)5-4-6-11-10/h7,9,11-12H,4-6H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpyrrolidin-2-yl)but-2-en-1-ol?
3-methyl-1-(2-methylpyrrolidin-2-yl)but-2-en-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpyrrolidin-2-yl)but-2-en-1-ol is sourced from PubChem (CID 164650096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).