1-[(Z,4Z)-7-amino-4-ethylidene-8-fluoro-6-methoxyoct-2-enyl]pyrrolidin-3-ol

C15H27FN2O2 — CID 129313105

IUPAC1-[(Z,4Z)-7-amino-4-ethylidene-8-fluoro-6-methoxyoct-2-enyl]pyrrolidin-3-ol
SMILESC/C=C(\C=C/CN1CCC(O)C1)CC(OC)C(N)CF
InChIInChI=1S/C15H27FN2O2/c1-3-12(9-15(20-2)14(17)10-16)5-4-7-18-8-6-13(19)11-18/h3-5,13-15,19H,6-11,17H2,1-2H3/b5-4-,12-3+
InChIKeyVOCUVLAYWVWPPZ-YPBGMLOESA-N
MW286.39 g/mol
LogP1.26
Rot. Bonds8

About 1-[(Z,4Z)-7-amino-4-ethylidene-8-fluoro-6-methoxyoct-2-enyl]pyrrolidin-3-ol

1-[(Z,4Z)-7-amino-4-ethylidene-8-fluoro-6-methoxyoct-2-enyl]pyrrolidin-3-ol (PubChem CID 129313105) has the molecular formula C15H27FN2O2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 1-[(Z,4Z)-7-amino-4-ethylidene-8-fluoro-6-methoxyoct-2-enyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(Z,4Z)-7-amino-4-ethylidene-8-fluoro-6-methoxyoct-2-enyl]pyrrolidin-3-ol
PubChem CID129313105
Molecular FormulaC15H27FN2O2
Molecular Weight286.39 g/mol
Exact Mass286.21
IUPAC Name1-[(Z,4Z)-7-amino-4-ethylidene-8-fluoro-6-methoxyoct-2-enyl]pyrrolidin-3-ol
SMILESC/C=C(\C=C/CN1CCC(O)C1)CC(OC)C(N)CF
InChIInChI=1S/C15H27FN2O2/c1-3-12(9-15(20-2)14(17)10-16)5-4-7-18-8-6-13(19)11-18/h3-5,13-15,19H,6-11,17H2,1-2H3/b5-4-,12-3+
InChIKeyVOCUVLAYWVWPPZ-YPBGMLOESA-N
XLogP1.26
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[(Z,4Z)-7-amino-4-ethylidene-8-fluoro-6-methoxyoct-2-enyl]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-[(Z,4Z)-7-amino-4-ethylidene-8-fluoro-6-methoxyoct-2-enyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(Z,4Z)-7-amino-4-ethylidene-8-fluoro-6-methoxyoct-2-enyl]pyrrolidin-3-ol (CID 129313105) is 1-[(Z,4Z)-7-amino-4-ethylidene-8-fluoro-6-methoxyoct-2-enyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(Z,4Z)-7-amino-4-ethylidene-8-fluoro-6-methoxyoct-2-enyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(Z,4Z)-7-amino-4-ethylidene-8-fluoro-6-methoxyoct-2-enyl]pyrrolidin-3-ol is C/C=C(\C=C/CN1CCC(O)C1)CC(OC)C(N)CF.
What is the InChIKey of 1-[(Z,4Z)-7-amino-4-ethylidene-8-fluoro-6-methoxyoct-2-enyl]pyrrolidin-3-ol?
The InChIKey is VOCUVLAYWVWPPZ-YPBGMLOESA-N. The full InChI is InChI=1S/C15H27FN2O2/c1-3-12(9-15(20-2)14(17)10-16)5-4-7-18-8-6-13(19)11-18/h3-5,13-15,19H,6-11,17H2,1-2H3/b5-4-,12-3+.
What are the key properties of 1-[(Z,4Z)-7-amino-4-ethylidene-8-fluoro-6-methoxyoct-2-enyl]pyrrolidin-3-ol?
1-[(Z,4Z)-7-amino-4-ethylidene-8-fluoro-6-methoxyoct-2-enyl]pyrrolidin-3-ol has a molecular weight of 286.39 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,4Z)-7-amino-4-ethylidene-8-fluoro-6-methoxyoct-2-enyl]pyrrolidin-3-ol is sourced from PubChem (CID 129313105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).