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

C11H21NO — CID 102788068

IUPAC[3-methyl-1-(3-methylbut-3-enyl)pyrrolidin-2-yl]methanol
SMILESC=C(C)CCN1CCC(C)C1CO
InChIInChI=1S/C11H21NO/c1-9(2)4-6-12-7-5-10(3)11(12)8-13/h10-11,13H,1,4-8H2,2-3H3
InChIKeyPLBHTKRWFIVFNV-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.66
Rot. Bonds4

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

[3-methyl-1-(3-methylbut-3-enyl)pyrrolidin-2-yl]methanol (PubChem CID 102788068) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is [3-methyl-1-(3-methylbut-3-enyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(3-methylbut-3-enyl)pyrrolidin-2-yl]methanol
PubChem CID102788068
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name[3-methyl-1-(3-methylbut-3-enyl)pyrrolidin-2-yl]methanol
SMILESC=C(C)CCN1CCC(C)C1CO
InChIInChI=1S/C11H21NO/c1-9(2)4-6-12-7-5-10(3)11(12)8-13/h10-11,13H,1,4-8H2,2-3H3
InChIKeyPLBHTKRWFIVFNV-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.66
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 [3-methyl-1-(3-methylbut-3-enyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-(3-methylbut-3-enyl)pyrrolidin-2-yl]methanol (CID 102788068) is [3-methyl-1-(3-methylbut-3-enyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-(3-methylbut-3-enyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-(3-methylbut-3-enyl)pyrrolidin-2-yl]methanol is C=C(C)CCN1CCC(C)C1CO.
What is the InChIKey of [3-methyl-1-(3-methylbut-3-enyl)pyrrolidin-2-yl]methanol?
The InChIKey is PLBHTKRWFIVFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)4-6-12-7-5-10(3)11(12)8-13/h10-11,13H,1,4-8H2,2-3H3.
What are the key properties of [3-methyl-1-(3-methylbut-3-enyl)pyrrolidin-2-yl]methanol?
[3-methyl-1-(3-methylbut-3-enyl)pyrrolidin-2-yl]methanol has a molecular weight of 183.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(3-methylbut-3-enyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).