(2S)-1-[(3E)-5-(methoxymethoxy)-3-methylpenta-1,3-dien-2-yl]-2-(methoxymethyl)pyrrolidine

C14H25NO3 — CID 15305335

IUPAC(2S)-1-[(3E)-5-(methoxymethoxy)-3-methylpenta-1,3-dien-2-yl]-2-(methoxymethyl)pyrrolidine
SMILESC=C(/C(C)=C/COCOC)N1CCC[C@H]1COC
InChIInChI=1S/C14H25NO3/c1-12(7-9-18-11-17-4)13(2)15-8-5-6-14(15)10-16-3/h7,14H,2,5-6,8-11H2,1,3-4H3/b12-7+/t14-/m0/s1
InChIKeyOXDZIVUOGWLHLB-GMMCIKNFSA-N
MW255.36 g/mol
LogP2.18
Rot. Bonds8

About (2S)-1-[(3E)-5-(methoxymethoxy)-3-methylpenta-1,3-dien-2-yl]-2-(methoxymethyl)pyrrolidine

(2S)-1-[(3E)-5-(methoxymethoxy)-3-methylpenta-1,3-dien-2-yl]-2-(methoxymethyl)pyrrolidine (PubChem CID 15305335) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-1-[(3E)-5-(methoxymethoxy)-3-methylpenta-1,3-dien-2-yl]-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-[(3E)-5-(methoxymethoxy)-3-methylpenta-1,3-dien-2-yl]-2-(methoxymethyl)pyrrolidine
PubChem CID15305335
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(2S)-1-[(3E)-5-(methoxymethoxy)-3-methylpenta-1,3-dien-2-yl]-2-(methoxymethyl)pyrrolidine
SMILESC=C(/C(C)=C/COCOC)N1CCC[C@H]1COC
InChIInChI=1S/C14H25NO3/c1-12(7-9-18-11-17-4)13(2)15-8-5-6-14(15)10-16-3/h7,14H,2,5-6,8-11H2,1,3-4H3/b12-7+/t14-/m0/s1
InChIKeyOXDZIVUOGWLHLB-GMMCIKNFSA-N
XLogP2.18
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2S)-1-[(3E)-5-(methoxymethoxy)-3-methylpenta-1,3-dien-2-yl]-2-(methoxymethyl)pyrrolidine with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-(methoxymethyl)-1-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]pyrrolidine
CID 10911229
(2S)-2-(methoxymethyl)-1-[(3Z)-5-methoxy-3-methylpenta-1,3-dien-2-yl]pyrrolidine
CID 101709446

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3E)-5-(methoxymethoxy)-3-methylpenta-1,3-dien-2-yl]-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-[(3E)-5-(methoxymethoxy)-3-methylpenta-1,3-dien-2-yl]-2-(methoxymethyl)pyrrolidine (CID 15305335) is (2S)-1-[(3E)-5-(methoxymethoxy)-3-methylpenta-1,3-dien-2-yl]-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-[(3E)-5-(methoxymethoxy)-3-methylpenta-1,3-dien-2-yl]-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-[(3E)-5-(methoxymethoxy)-3-methylpenta-1,3-dien-2-yl]-2-(methoxymethyl)pyrrolidine is C=C(/C(C)=C/COCOC)N1CCC[C@H]1COC.
What is the InChIKey of (2S)-1-[(3E)-5-(methoxymethoxy)-3-methylpenta-1,3-dien-2-yl]-2-(methoxymethyl)pyrrolidine?
The InChIKey is OXDZIVUOGWLHLB-GMMCIKNFSA-N. The full InChI is InChI=1S/C14H25NO3/c1-12(7-9-18-11-17-4)13(2)15-8-5-6-14(15)10-16-3/h7,14H,2,5-6,8-11H2,1,3-4H3/b12-7+/t14-/m0/s1.
What are the key properties of (2S)-1-[(3E)-5-(methoxymethoxy)-3-methylpenta-1,3-dien-2-yl]-2-(methoxymethyl)pyrrolidine?
(2S)-1-[(3E)-5-(methoxymethoxy)-3-methylpenta-1,3-dien-2-yl]-2-(methoxymethyl)pyrrolidine has a molecular weight of 255.36 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3E)-5-(methoxymethoxy)-3-methylpenta-1,3-dien-2-yl]-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 15305335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).