(1R,2E)-2-(methyliminomethyl)-1-[(2R)-pyrrolidin-2-yl]penta-2,4-dien-1-ol

C11H18N2O — CID 163754495

IUPAC(1R,2E)-2-(methyliminomethyl)-1-[(2R)-pyrrolidin-2-yl]penta-2,4-dien-1-ol
SMILESC=C/C=C(\C=N\C)[C@@H](O)[C@H]1CCCN1
InChIInChI=1S/C11H18N2O/c1-3-5-9(8-12-2)11(14)10-6-4-7-13-10/h3,5,8,10-11,13-14H,1,4,6-7H2,2H3/b9-5+,12-8+/t10-,11-/m1/s1
InChIKeyLSVYAWXNQWOTHG-SKUHIPTMSA-N
MW194.28 g/mol
LogP0.91
Rot. Bonds4

About (1R,2E)-2-(methyliminomethyl)-1-[(2R)-pyrrolidin-2-yl]penta-2,4-dien-1-ol

(1R,2E)-2-(methyliminomethyl)-1-[(2R)-pyrrolidin-2-yl]penta-2,4-dien-1-ol (PubChem CID 163754495) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1R,2E)-2-(methyliminomethyl)-1-[(2R)-pyrrolidin-2-yl]penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(1R,2E)-2-(methyliminomethyl)-1-[(2R)-pyrrolidin-2-yl]penta-2,4-dien-1-ol
PubChem CID163754495
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1R,2E)-2-(methyliminomethyl)-1-[(2R)-pyrrolidin-2-yl]penta-2,4-dien-1-ol
SMILESC=C/C=C(\C=N\C)[C@@H](O)[C@H]1CCCN1
InChIInChI=1S/C11H18N2O/c1-3-5-9(8-12-2)11(14)10-6-4-7-13-10/h3,5,8,10-11,13-14H,1,4,6-7H2,2H3/b9-5+,12-8+/t10-,11-/m1/s1
InChIKeyLSVYAWXNQWOTHG-SKUHIPTMSA-N
XLogP0.91
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1R,2E)-2-(methyliminomethyl)-1-[(2R)-pyrrolidin-2-yl]penta-2,4-dien-1-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 (1R,2E)-2-(methyliminomethyl)-1-[(2R)-pyrrolidin-2-yl]penta-2,4-dien-1-ol?
The IUPAC name of (1R,2E)-2-(methyliminomethyl)-1-[(2R)-pyrrolidin-2-yl]penta-2,4-dien-1-ol (CID 163754495) is (1R,2E)-2-(methyliminomethyl)-1-[(2R)-pyrrolidin-2-yl]penta-2,4-dien-1-ol.
What is the SMILES notation for (1R,2E)-2-(methyliminomethyl)-1-[(2R)-pyrrolidin-2-yl]penta-2,4-dien-1-ol?
The canonical SMILES for (1R,2E)-2-(methyliminomethyl)-1-[(2R)-pyrrolidin-2-yl]penta-2,4-dien-1-ol is C=C/C=C(\C=N\C)[C@@H](O)[C@H]1CCCN1.
What is the InChIKey of (1R,2E)-2-(methyliminomethyl)-1-[(2R)-pyrrolidin-2-yl]penta-2,4-dien-1-ol?
The InChIKey is LSVYAWXNQWOTHG-SKUHIPTMSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-5-9(8-12-2)11(14)10-6-4-7-13-10/h3,5,8,10-11,13-14H,1,4,6-7H2,2H3/b9-5+,12-8+/t10-,11-/m1/s1.
What are the key properties of (1R,2E)-2-(methyliminomethyl)-1-[(2R)-pyrrolidin-2-yl]penta-2,4-dien-1-ol?
(1R,2E)-2-(methyliminomethyl)-1-[(2R)-pyrrolidin-2-yl]penta-2,4-dien-1-ol has a molecular weight of 194.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E)-2-(methyliminomethyl)-1-[(2R)-pyrrolidin-2-yl]penta-2,4-dien-1-ol is sourced from PubChem (CID 163754495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).