1-(5-methoxy-6-methyl-3-prop-1-en-2-yldodeca-1,3,5-trien-2-yl)-2-methyl-4-methylidenepyrrolidine

C23H37NO — CID 123441839

IUPAC1-(5-methoxy-6-methyl-3-prop-1-en-2-yldodeca-1,3,5-trien-2-yl)-2-methyl-4-methylidenepyrrolidine
SMILESC=C1CC(C)N(C(=C)C(=CC(OC)=C(C)CCCCCC)C(=C)C)C1
InChIInChI=1S/C23H37NO/c1-9-10-11-12-13-19(5)23(25-8)15-22(17(2)3)21(7)24-16-18(4)14-20(24)6/h15,20H,2,4,7,9-14,16H2,1,3,5-6,8H3
InChIKeyAKMGFWVIZNOZAY-UHFFFAOYSA-N
MW343.56 g/mol
LogP6.54
Rot. Bonds10

About 1-(5-methoxy-6-methyl-3-prop-1-en-2-yldodeca-1,3,5-trien-2-yl)-2-methyl-4-methylidenepyrrolidine

1-(5-methoxy-6-methyl-3-prop-1-en-2-yldodeca-1,3,5-trien-2-yl)-2-methyl-4-methylidenepyrrolidine (PubChem CID 123441839) has the molecular formula C23H37NO and a molecular weight of 343.56 g/mol. Its IUPAC name is 1-(5-methoxy-6-methyl-3-prop-1-en-2-yldodeca-1,3,5-trien-2-yl)-2-methyl-4-methylidenepyrrolidine.

Molecular Properties

Compound Name1-(5-methoxy-6-methyl-3-prop-1-en-2-yldodeca-1,3,5-trien-2-yl)-2-methyl-4-methylidenepyrrolidine
PubChem CID123441839
Molecular FormulaC23H37NO
Molecular Weight343.56 g/mol
Exact Mass343.29
IUPAC Name1-(5-methoxy-6-methyl-3-prop-1-en-2-yldodeca-1,3,5-trien-2-yl)-2-methyl-4-methylidenepyrrolidine
SMILESC=C1CC(C)N(C(=C)C(=CC(OC)=C(C)CCCCCC)C(=C)C)C1
InChIInChI=1S/C23H37NO/c1-9-10-11-12-13-19(5)23(25-8)15-22(17(2)3)21(7)24-16-18(4)14-20(24)6/h15,20H,2,4,7,9-14,16H2,1,3,5-6,8H3
InChIKeyAKMGFWVIZNOZAY-UHFFFAOYSA-N
XLogP6.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-methoxy-6-methyl-3-prop-1-en-2-yldodeca-1,3,5-trien-2-yl)-2-methyl-4-methylidenepyrrolidine 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

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-N-nonan-2-ylcyclohexa-1,5-dien-1-amine
CID 138519271
(2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine
CID 142550059
(1E)-1-[4-heptan-4-yl-1-[(2E,4E)-4-methoxy-2,3,5-trimethylhepta-2,4,6-trienyl]-2-methylidenepyrrolidin-3-ylidene]ethanol;2-methylprop-1-ene
CID 144069034
5-ethenyl-4-[(3E,5E)-5-methoxy-2-methylhepta-1,3,5-trien-3-yl]-1-methyl-2,3-dihydropyrrole
CID 162524709

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-6-methyl-3-prop-1-en-2-yldodeca-1,3,5-trien-2-yl)-2-methyl-4-methylidenepyrrolidine?
The IUPAC name of 1-(5-methoxy-6-methyl-3-prop-1-en-2-yldodeca-1,3,5-trien-2-yl)-2-methyl-4-methylidenepyrrolidine (CID 123441839) is 1-(5-methoxy-6-methyl-3-prop-1-en-2-yldodeca-1,3,5-trien-2-yl)-2-methyl-4-methylidenepyrrolidine.
What is the SMILES notation for 1-(5-methoxy-6-methyl-3-prop-1-en-2-yldodeca-1,3,5-trien-2-yl)-2-methyl-4-methylidenepyrrolidine?
The canonical SMILES for 1-(5-methoxy-6-methyl-3-prop-1-en-2-yldodeca-1,3,5-trien-2-yl)-2-methyl-4-methylidenepyrrolidine is C=C1CC(C)N(C(=C)C(=CC(OC)=C(C)CCCCCC)C(=C)C)C1.
What is the InChIKey of 1-(5-methoxy-6-methyl-3-prop-1-en-2-yldodeca-1,3,5-trien-2-yl)-2-methyl-4-methylidenepyrrolidine?
The InChIKey is AKMGFWVIZNOZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO/c1-9-10-11-12-13-19(5)23(25-8)15-22(17(2)3)21(7)24-16-18(4)14-20(24)6/h15,20H,2,4,7,9-14,16H2,1,3,5-6,8H3.
What are the key properties of 1-(5-methoxy-6-methyl-3-prop-1-en-2-yldodeca-1,3,5-trien-2-yl)-2-methyl-4-methylidenepyrrolidine?
1-(5-methoxy-6-methyl-3-prop-1-en-2-yldodeca-1,3,5-trien-2-yl)-2-methyl-4-methylidenepyrrolidine has a molecular weight of 343.56 g/mol, XLogP of 6.54, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-6-methyl-3-prop-1-en-2-yldodeca-1,3,5-trien-2-yl)-2-methyl-4-methylidenepyrrolidine is sourced from PubChem (CID 123441839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).