1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine

C16H25NO2 — CID 129295807

IUPAC1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine
SMILESC=C1OCCO/C1=C/C(=C\C)CCCN1CCCC1
InChIInChI=1S/C16H25NO2/c1-3-15(7-6-10-17-8-4-5-9-17)13-16-14(2)18-11-12-19-16/h3,13H,2,4-12H2,1H3/b15-3-,16-13+
InChIKeyQLQWEMJMRBEIBT-RTKJRYBUSA-N
MW263.38 g/mol
LogP3.25
Rot. Bonds5

About 1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine

1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine (PubChem CID 129295807) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine
PubChem CID129295807
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine
SMILESC=C1OCCO/C1=C/C(=C\C)CCCN1CCCC1
InChIInChI=1S/C16H25NO2/c1-3-15(7-6-10-17-8-4-5-9-17)13-16-14(2)18-11-12-19-16/h3,13H,2,4-12H2,1H3/b15-3-,16-13+
InChIKeyQLQWEMJMRBEIBT-RTKJRYBUSA-N
XLogP3.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]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

1-[3-[4-Methoxy-5-(1,2,2-trifluoroethoxy)cyclohexa-1,5-dien-1-yl]propyl]pyrrolidine
CID 143865873
1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine
CID 144839997
1-[3-(6-methyl-3,7-dihydro-2H-1,4-benzodioxin-6-yl)propyl]pyrrolidine
CID 70279056
1-[(E,6E)-6-(1,4-dioxan-2-ylidene)-4-ethylhex-4-enyl]pyrrolidine
CID 88234278
1-[3-(2,3,4a,5-Tetrahydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine
CID 91256654
1-[3-(7-Methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
CID 91497755
1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine
CID 129295706
1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine
CID 129295757
1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine
CID 129295823
1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine
CID 129295937
1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine
CID 129296018
1-[(E,6E)-6-(1,4-dioxan-2-ylidene)-4-methylhex-4-enyl]pyrrolidine
CID 132152356

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine?
The IUPAC name of 1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine (CID 129295807) is 1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine.
What is the SMILES notation for 1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine?
The canonical SMILES for 1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine is C=C1OCCO/C1=C/C(=C\C)CCCN1CCCC1.
What is the InChIKey of 1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine?
The InChIKey is QLQWEMJMRBEIBT-RTKJRYBUSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-15(7-6-10-17-8-4-5-9-17)13-16-14(2)18-11-12-19-16/h3,13H,2,4-12H2,1H3/b15-3-,16-13+.
What are the key properties of 1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine?
1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine has a molecular weight of 263.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine is sourced from PubChem (CID 129295807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).