1-(3-methylbut-2-enyl)pyrrolidine-3,4-diol

C9H17NO2 — CID 106673027

IUPAC1-(3-methylbut-2-enyl)pyrrolidine-3,4-diol
SMILESCC(C)=CCN1CC(O)C(O)C1
InChIInChI=1S/C9H17NO2/c1-7(2)3-4-10-5-8(11)9(12)6-10/h3,8-9,11-12H,4-6H2,1-2H3
InChIKeyUMRBXSCRDCWKTH-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.01
Rot. Bonds2

About 1-(3-methylbut-2-enyl)pyrrolidine-3,4-diol

1-(3-methylbut-2-enyl)pyrrolidine-3,4-diol (PubChem CID 106673027) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)pyrrolidine-3,4-diol
PubChem CID106673027
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(3-methylbut-2-enyl)pyrrolidine-3,4-diol
SMILESCC(C)=CCN1CC(O)C(O)C1
InChIInChI=1S/C9H17NO2/c1-7(2)3-4-10-5-8(11)9(12)6-10/h3,8-9,11-12H,4-6H2,1-2H3
InChIKeyUMRBXSCRDCWKTH-UHFFFAOYSA-N
XLogP-0.01
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(3-methylbut-2-enyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(3-methylbut-2-enyl)pyrrolidine-3,4-diol (CID 106673027) is 1-(3-methylbut-2-enyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(3-methylbut-2-enyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(3-methylbut-2-enyl)pyrrolidine-3,4-diol is CC(C)=CCN1CC(O)C(O)C1.
What is the InChIKey of 1-(3-methylbut-2-enyl)pyrrolidine-3,4-diol?
The InChIKey is UMRBXSCRDCWKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)3-4-10-5-8(11)9(12)6-10/h3,8-9,11-12H,4-6H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)pyrrolidine-3,4-diol?
1-(3-methylbut-2-enyl)pyrrolidine-3,4-diol has a molecular weight of 171.24 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106673027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).