1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylpyrrolidin-3-amine

C11H17FN2 — CID 168988182

IUPAC1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylpyrrolidin-3-amine
SMILESC=C(F)/C=C\C(=C)N1CCC(NC)C1
InChIInChI=1S/C11H17FN2/c1-9(12)4-5-10(2)14-7-6-11(8-14)13-3/h4-5,11,13H,1-2,6-8H2,3H3/b5-4-
InChIKeyJIHALSSLMKORHA-PLNGDYQASA-N
MW196.27 g/mol
LogP1.83
Rot. Bonds4

About 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylpyrrolidin-3-amine

1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylpyrrolidin-3-amine (PubChem CID 168988182) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylpyrrolidin-3-amine
PubChem CID168988182
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylpyrrolidin-3-amine
SMILESC=C(F)/C=C\C(=C)N1CCC(NC)C1
InChIInChI=1S/C11H17FN2/c1-9(12)4-5-10(2)14-7-6-11(8-14)13-3/h4-5,11,13H,1-2,6-8H2,3H3/b5-4-
InChIKeyJIHALSSLMKORHA-PLNGDYQASA-N
XLogP1.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylpyrrolidin-3-amine (CID 168988182) is 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylpyrrolidin-3-amine is C=C(F)/C=C\C(=C)N1CCC(NC)C1.
What is the InChIKey of 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylpyrrolidin-3-amine?
The InChIKey is JIHALSSLMKORHA-PLNGDYQASA-N. The full InChI is InChI=1S/C11H17FN2/c1-9(12)4-5-10(2)14-7-6-11(8-14)13-3/h4-5,11,13H,1-2,6-8H2,3H3/b5-4-.
What are the key properties of 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylpyrrolidin-3-amine?
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylpyrrolidin-3-amine has a molecular weight of 196.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 168988182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).