3-[(Z)-4-fluoro-3-methylidenepent-1-enyl]-2-methyl-1H-pyrrole

C11H14FN — CID 153376226

IUPAC3-[(Z)-4-fluoro-3-methylidenepent-1-enyl]-2-methyl-1H-pyrrole
SMILESC=C(/C=C\c1cc[nH]c1C)C(C)F
InChIInChI=1S/C11H14FN/c1-8(9(2)12)4-5-11-6-7-13-10(11)3/h4-7,9,13H,1H2,2-3H3/b5-4-
InChIKeyIFEDFEPBPGOMGY-PLNGDYQASA-N
MW179.24 g/mol
LogP3.25
Rot. Bonds3

About 3-[(Z)-4-fluoro-3-methylidenepent-1-enyl]-2-methyl-1H-pyrrole

3-[(Z)-4-fluoro-3-methylidenepent-1-enyl]-2-methyl-1H-pyrrole (PubChem CID 153376226) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-[(Z)-4-fluoro-3-methylidenepent-1-enyl]-2-methyl-1H-pyrrole.

Molecular Properties

Compound Name3-[(Z)-4-fluoro-3-methylidenepent-1-enyl]-2-methyl-1H-pyrrole
PubChem CID153376226
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name3-[(Z)-4-fluoro-3-methylidenepent-1-enyl]-2-methyl-1H-pyrrole
SMILESC=C(/C=C\c1cc[nH]c1C)C(C)F
InChIInChI=1S/C11H14FN/c1-8(9(2)12)4-5-11-6-7-13-10(11)3/h4-7,9,13H,1H2,2-3H3/b5-4-
InChIKeyIFEDFEPBPGOMGY-PLNGDYQASA-N
XLogP3.25
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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-[(Z)-4-fluoro-3-methylidenepent-1-enyl]-2-methyl-1H-pyrrole?
The IUPAC name of 3-[(Z)-4-fluoro-3-methylidenepent-1-enyl]-2-methyl-1H-pyrrole (CID 153376226) is 3-[(Z)-4-fluoro-3-methylidenepent-1-enyl]-2-methyl-1H-pyrrole.
What is the SMILES notation for 3-[(Z)-4-fluoro-3-methylidenepent-1-enyl]-2-methyl-1H-pyrrole?
The canonical SMILES for 3-[(Z)-4-fluoro-3-methylidenepent-1-enyl]-2-methyl-1H-pyrrole is C=C(/C=C\c1cc[nH]c1C)C(C)F.
What is the InChIKey of 3-[(Z)-4-fluoro-3-methylidenepent-1-enyl]-2-methyl-1H-pyrrole?
The InChIKey is IFEDFEPBPGOMGY-PLNGDYQASA-N. The full InChI is InChI=1S/C11H14FN/c1-8(9(2)12)4-5-11-6-7-13-10(11)3/h4-7,9,13H,1H2,2-3H3/b5-4-.
What are the key properties of 3-[(Z)-4-fluoro-3-methylidenepent-1-enyl]-2-methyl-1H-pyrrole?
3-[(Z)-4-fluoro-3-methylidenepent-1-enyl]-2-methyl-1H-pyrrole has a molecular weight of 179.24 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-4-fluoro-3-methylidenepent-1-enyl]-2-methyl-1H-pyrrole is sourced from PubChem (CID 153376226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).