1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine

C16H25NO2 — CID 135225329

IUPAC1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine
SMILESC=C/C(=C\C=C1/COCCO1)CCCN1CCCC1
InChIInChI=1S/C16H25NO2/c1-2-15(6-5-11-17-9-3-4-10-17)7-8-16-14-18-12-13-19-16/h2,7-8H,1,3-6,9-14H2/b15-7+,16-8+
InChIKeyDXPPPHBGZDXEHE-BGPOSVGRSA-N
MW263.38 g/mol
LogP2.91
Rot. Bonds6

About 1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine

1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine (PubChem CID 135225329) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine
PubChem CID135225329
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine
SMILESC=C/C(=C\C=C1/COCCO1)CCCN1CCCC1
InChIInChI=1S/C16H25NO2/c1-2-15(6-5-11-17-9-3-4-10-17)7-8-16-14-18-12-13-19-16/h2,7-8H,1,3-6,9-14H2/b15-7+,16-8+
InChIKeyDXPPPHBGZDXEHE-BGPOSVGRSA-N
XLogP2.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine?
The IUPAC name of 1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine (CID 135225329) is 1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine.
What is the SMILES notation for 1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine?
The canonical SMILES for 1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine is C=C/C(=C\C=C1/COCCO1)CCCN1CCCC1.
What is the InChIKey of 1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine?
The InChIKey is DXPPPHBGZDXEHE-BGPOSVGRSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-15(6-5-11-17-9-3-4-10-17)7-8-16-14-18-12-13-19-16/h2,7-8H,1,3-6,9-14H2/b15-7+,16-8+.
What are the key properties of 1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine?
1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine has a molecular weight of 263.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine is sourced from PubChem (CID 135225329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).