1-(1-hydroxy-2-methylprop-1-enyl)pyrrolidin-3-ol

C8H15NO2 — CID 156532676

IUPAC1-(1-hydroxy-2-methylprop-1-enyl)pyrrolidin-3-ol
SMILESCC(C)=C(O)N1CCC(O)C1
InChIInChI=1S/C8H15NO2/c1-6(2)8(11)9-4-3-7(10)5-9/h7,10-11H,3-5H2,1-2H3
InChIKeyCJFGZMBRHBLYPW-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.86
Rot. Bonds1

About 1-(1-hydroxy-2-methylprop-1-enyl)pyrrolidin-3-ol

1-(1-hydroxy-2-methylprop-1-enyl)pyrrolidin-3-ol (PubChem CID 156532676) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylprop-1-enyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylprop-1-enyl)pyrrolidin-3-ol
PubChem CID156532676
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(1-hydroxy-2-methylprop-1-enyl)pyrrolidin-3-ol
SMILESCC(C)=C(O)N1CCC(O)C1
InChIInChI=1S/C8H15NO2/c1-6(2)8(11)9-4-3-7(10)5-9/h7,10-11H,3-5H2,1-2H3
InChIKeyCJFGZMBRHBLYPW-UHFFFAOYSA-N
XLogP0.86
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylprop-1-enyl)pyrrolidin-3-ol?
The IUPAC name of 1-(1-hydroxy-2-methylprop-1-enyl)pyrrolidin-3-ol (CID 156532676) is 1-(1-hydroxy-2-methylprop-1-enyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1-hydroxy-2-methylprop-1-enyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1-hydroxy-2-methylprop-1-enyl)pyrrolidin-3-ol is CC(C)=C(O)N1CCC(O)C1.
What is the InChIKey of 1-(1-hydroxy-2-methylprop-1-enyl)pyrrolidin-3-ol?
The InChIKey is CJFGZMBRHBLYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)8(11)9-4-3-7(10)5-9/h7,10-11H,3-5H2,1-2H3.
What are the key properties of 1-(1-hydroxy-2-methylprop-1-enyl)pyrrolidin-3-ol?
1-(1-hydroxy-2-methylprop-1-enyl)pyrrolidin-3-ol has a molecular weight of 157.21 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylprop-1-enyl)pyrrolidin-3-ol is sourced from PubChem (CID 156532676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).