(5R)-5-[(E)-2-hydroxyethenyl]-1-propan-2-ylpyrrolidin-3-ol

C9H17NO2 — CID 167226616

IUPAC(5R)-5-[(E)-2-hydroxyethenyl]-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1CC(O)C[C@@H]1/C=C/O
InChIInChI=1S/C9H17NO2/c1-7(2)10-6-9(12)5-8(10)3-4-11/h3-4,7-9,11-12H,5-6H2,1-2H3/b4-3+/t8-,9?/m0/s1
InChIKeyOIAUVGDNLKVXNI-OSQTYMOCSA-N
MW171.24 g/mol
LogP0.90
Rot. Bonds2

About (5R)-5-[(E)-2-hydroxyethenyl]-1-propan-2-ylpyrrolidin-3-ol

(5R)-5-[(E)-2-hydroxyethenyl]-1-propan-2-ylpyrrolidin-3-ol (PubChem CID 167226616) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (5R)-5-[(E)-2-hydroxyethenyl]-1-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(5R)-5-[(E)-2-hydroxyethenyl]-1-propan-2-ylpyrrolidin-3-ol
PubChem CID167226616
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(5R)-5-[(E)-2-hydroxyethenyl]-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1CC(O)C[C@@H]1/C=C/O
InChIInChI=1S/C9H17NO2/c1-7(2)10-6-9(12)5-8(10)3-4-11/h3-4,7-9,11-12H,5-6H2,1-2H3/b4-3+/t8-,9?/m0/s1
InChIKeyOIAUVGDNLKVXNI-OSQTYMOCSA-N
XLogP0.90
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 ≤ 50.90
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 (5R)-5-[(E)-2-hydroxyethenyl]-1-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of (5R)-5-[(E)-2-hydroxyethenyl]-1-propan-2-ylpyrrolidin-3-ol (CID 167226616) is (5R)-5-[(E)-2-hydroxyethenyl]-1-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (5R)-5-[(E)-2-hydroxyethenyl]-1-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for (5R)-5-[(E)-2-hydroxyethenyl]-1-propan-2-ylpyrrolidin-3-ol is CC(C)N1CC(O)C[C@@H]1/C=C/O.
What is the InChIKey of (5R)-5-[(E)-2-hydroxyethenyl]-1-propan-2-ylpyrrolidin-3-ol?
The InChIKey is OIAUVGDNLKVXNI-OSQTYMOCSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)10-6-9(12)5-8(10)3-4-11/h3-4,7-9,11-12H,5-6H2,1-2H3/b4-3+/t8-,9?/m0/s1.
What are the key properties of (5R)-5-[(E)-2-hydroxyethenyl]-1-propan-2-ylpyrrolidin-3-ol?
(5R)-5-[(E)-2-hydroxyethenyl]-1-propan-2-ylpyrrolidin-3-ol has a molecular weight of 171.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(E)-2-hydroxyethenyl]-1-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 167226616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).