1-[(3Z,4Z)-3-ethylidene-6-methylideneocta-4,7-dienyl]pyrrolidine

C15H23N — CID 138479930

IUPAC1-[(3Z,4Z)-3-ethylidene-6-methylideneocta-4,7-dienyl]pyrrolidine
SMILESC=CC(=C)/C=C\C(=C/C)CCN1CCCC1
InChIInChI=1S/C15H23N/c1-4-14(3)8-9-15(5-2)10-13-16-11-6-7-12-16/h4-5,8-9H,1,3,6-7,10-13H2,2H3/b9-8-,15-5+
InChIKeyDWNXEGNQJHHJFP-ISAYEIQKSA-N
MW217.36 g/mol
LogP3.72
Rot. Bonds6

About 1-[(3Z,4Z)-3-ethylidene-6-methylideneocta-4,7-dienyl]pyrrolidine

1-[(3Z,4Z)-3-ethylidene-6-methylideneocta-4,7-dienyl]pyrrolidine (PubChem CID 138479930) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-[(3Z,4Z)-3-ethylidene-6-methylideneocta-4,7-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(3Z,4Z)-3-ethylidene-6-methylideneocta-4,7-dienyl]pyrrolidine
PubChem CID138479930
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-[(3Z,4Z)-3-ethylidene-6-methylideneocta-4,7-dienyl]pyrrolidine
SMILESC=CC(=C)/C=C\C(=C/C)CCN1CCCC1
InChIInChI=1S/C15H23N/c1-4-14(3)8-9-15(5-2)10-13-16-11-6-7-12-16/h4-5,8-9H,1,3,6-7,10-13H2,2H3/b9-8-,15-5+
InChIKeyDWNXEGNQJHHJFP-ISAYEIQKSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(3Z,4Z)-3-ethylidene-6-methylideneocta-4,7-dienyl]pyrrolidine?
The IUPAC name of 1-[(3Z,4Z)-3-ethylidene-6-methylideneocta-4,7-dienyl]pyrrolidine (CID 138479930) is 1-[(3Z,4Z)-3-ethylidene-6-methylideneocta-4,7-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(3Z,4Z)-3-ethylidene-6-methylideneocta-4,7-dienyl]pyrrolidine?
The canonical SMILES for 1-[(3Z,4Z)-3-ethylidene-6-methylideneocta-4,7-dienyl]pyrrolidine is C=CC(=C)/C=C\C(=C/C)CCN1CCCC1.
What is the InChIKey of 1-[(3Z,4Z)-3-ethylidene-6-methylideneocta-4,7-dienyl]pyrrolidine?
The InChIKey is DWNXEGNQJHHJFP-ISAYEIQKSA-N. The full InChI is InChI=1S/C15H23N/c1-4-14(3)8-9-15(5-2)10-13-16-11-6-7-12-16/h4-5,8-9H,1,3,6-7,10-13H2,2H3/b9-8-,15-5+.
What are the key properties of 1-[(3Z,4Z)-3-ethylidene-6-methylideneocta-4,7-dienyl]pyrrolidine?
1-[(3Z,4Z)-3-ethylidene-6-methylideneocta-4,7-dienyl]pyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,4Z)-3-ethylidene-6-methylideneocta-4,7-dienyl]pyrrolidine is sourced from PubChem (CID 138479930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).