1-[3,5-bis(1-methoxyethenyl)phenyl]pyrrolidin-3-ol

C16H21NO3 — CID 70268826

IUPAC1-[3,5-bis(1-methoxyethenyl)phenyl]pyrrolidin-3-ol
SMILESC=C(OC)c1cc(C(=C)OC)cc(N2CCC(O)C2)c1
InChIInChI=1S/C16H21NO3/c1-11(19-3)13-7-14(12(2)20-4)9-15(8-13)17-6-5-16(18)10-17/h7-9,16,18H,1-2,5-6,10H2,3-4H3
InChIKeyPZULPYVWAKJUHY-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.49
Rot. Bonds5

About 1-[3,5-bis(1-methoxyethenyl)phenyl]pyrrolidin-3-ol

1-[3,5-bis(1-methoxyethenyl)phenyl]pyrrolidin-3-ol (PubChem CID 70268826) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[3,5-bis(1-methoxyethenyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3,5-bis(1-methoxyethenyl)phenyl]pyrrolidin-3-ol
PubChem CID70268826
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-[3,5-bis(1-methoxyethenyl)phenyl]pyrrolidin-3-ol
SMILESC=C(OC)c1cc(C(=C)OC)cc(N2CCC(O)C2)c1
InChIInChI=1S/C16H21NO3/c1-11(19-3)13-7-14(12(2)20-4)9-15(8-13)17-6-5-16(18)10-17/h7-9,16,18H,1-2,5-6,10H2,3-4H3
InChIKeyPZULPYVWAKJUHY-UHFFFAOYSA-N
XLogP2.49
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3,5-bis(1-methoxyethenyl)phenyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(1-methoxyethenyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3,5-bis(1-methoxyethenyl)phenyl]pyrrolidin-3-ol (CID 70268826) is 1-[3,5-bis(1-methoxyethenyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3,5-bis(1-methoxyethenyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3,5-bis(1-methoxyethenyl)phenyl]pyrrolidin-3-ol is C=C(OC)c1cc(C(=C)OC)cc(N2CCC(O)C2)c1.
What is the InChIKey of 1-[3,5-bis(1-methoxyethenyl)phenyl]pyrrolidin-3-ol?
The InChIKey is PZULPYVWAKJUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(19-3)13-7-14(12(2)20-4)9-15(8-13)17-6-5-16(18)10-17/h7-9,16,18H,1-2,5-6,10H2,3-4H3.
What are the key properties of 1-[3,5-bis(1-methoxyethenyl)phenyl]pyrrolidin-3-ol?
1-[3,5-bis(1-methoxyethenyl)phenyl]pyrrolidin-3-ol has a molecular weight of 275.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(1-methoxyethenyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 70268826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).