3-[(2Z)-4-fluoropenta-2,4-dienyl]-3-methylpyrrolidine

C10H16FN — CID 167199904

IUPAC3-[(2Z)-4-fluoropenta-2,4-dienyl]-3-methylpyrrolidine
SMILESC=C(F)/C=C\CC1(C)CCNC1
InChIInChI=1S/C10H16FN/c1-9(11)4-3-5-10(2)6-7-12-8-10/h3-4,12H,1,5-8H2,2H3/b4-3-
InChIKeyBANSBPXNCXRVNR-ARJAWSKDSA-N
MW169.24 g/mol
LogP2.42
Rot. Bonds3

About 3-[(2Z)-4-fluoropenta-2,4-dienyl]-3-methylpyrrolidine

3-[(2Z)-4-fluoropenta-2,4-dienyl]-3-methylpyrrolidine (PubChem CID 167199904) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 3-[(2Z)-4-fluoropenta-2,4-dienyl]-3-methylpyrrolidine.

Molecular Properties

Compound Name3-[(2Z)-4-fluoropenta-2,4-dienyl]-3-methylpyrrolidine
PubChem CID167199904
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name3-[(2Z)-4-fluoropenta-2,4-dienyl]-3-methylpyrrolidine
SMILESC=C(F)/C=C\CC1(C)CCNC1
InChIInChI=1S/C10H16FN/c1-9(11)4-3-5-10(2)6-7-12-8-10/h3-4,12H,1,5-8H2,2H3/b4-3-
InChIKeyBANSBPXNCXRVNR-ARJAWSKDSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
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 3-[(2Z)-4-fluoropenta-2,4-dienyl]-3-methylpyrrolidine?
The IUPAC name of 3-[(2Z)-4-fluoropenta-2,4-dienyl]-3-methylpyrrolidine (CID 167199904) is 3-[(2Z)-4-fluoropenta-2,4-dienyl]-3-methylpyrrolidine.
What is the SMILES notation for 3-[(2Z)-4-fluoropenta-2,4-dienyl]-3-methylpyrrolidine?
The canonical SMILES for 3-[(2Z)-4-fluoropenta-2,4-dienyl]-3-methylpyrrolidine is C=C(F)/C=C\CC1(C)CCNC1.
What is the InChIKey of 3-[(2Z)-4-fluoropenta-2,4-dienyl]-3-methylpyrrolidine?
The InChIKey is BANSBPXNCXRVNR-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H16FN/c1-9(11)4-3-5-10(2)6-7-12-8-10/h3-4,12H,1,5-8H2,2H3/b4-3-.
What are the key properties of 3-[(2Z)-4-fluoropenta-2,4-dienyl]-3-methylpyrrolidine?
3-[(2Z)-4-fluoropenta-2,4-dienyl]-3-methylpyrrolidine has a molecular weight of 169.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-4-fluoropenta-2,4-dienyl]-3-methylpyrrolidine is sourced from PubChem (CID 167199904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).