(4Z)-2-[(Z)-but-1-enyl]-3-ethenyl-4-(fluoromethylidene)-5-methylidene-1H-pyrrole

C12H14FN — CID 134462285

IUPAC(4Z)-2-[(Z)-but-1-enyl]-3-ethenyl-4-(fluoromethylidene)-5-methylidene-1H-pyrrole
SMILESC=Cc1c(/C=C\CC)[nH]c(=C)/c1=C\F
InChIInChI=1S/C12H14FN/c1-4-6-7-12-10(5-2)11(8-13)9(3)14-12/h5-8,14H,2-4H2,1H3/b7-6-,11-8+
InChIKeyMUFMZYUENKXXGN-BQGCWICQSA-N
MW191.25 g/mol
LogP2.20
Rot. Bonds3

About (4Z)-2-[(Z)-but-1-enyl]-3-ethenyl-4-(fluoromethylidene)-5-methylidene-1H-pyrrole

(4Z)-2-[(Z)-but-1-enyl]-3-ethenyl-4-(fluoromethylidene)-5-methylidene-1H-pyrrole (PubChem CID 134462285) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is (4Z)-2-[(Z)-but-1-enyl]-3-ethenyl-4-(fluoromethylidene)-5-methylidene-1H-pyrrole.

Molecular Properties

Compound Name(4Z)-2-[(Z)-but-1-enyl]-3-ethenyl-4-(fluoromethylidene)-5-methylidene-1H-pyrrole
PubChem CID134462285
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name(4Z)-2-[(Z)-but-1-enyl]-3-ethenyl-4-(fluoromethylidene)-5-methylidene-1H-pyrrole
SMILESC=Cc1c(/C=C\CC)[nH]c(=C)/c1=C\F
InChIInChI=1S/C12H14FN/c1-4-6-7-12-10(5-2)11(8-13)9(3)14-12/h5-8,14H,2-4H2,1H3/b7-6-,11-8+
InChIKeyMUFMZYUENKXXGN-BQGCWICQSA-N
XLogP2.20
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-[(Z)-but-1-enyl]-3-ethenyl-4-(fluoromethylidene)-5-methylidene-1H-pyrrole?
The IUPAC name of (4Z)-2-[(Z)-but-1-enyl]-3-ethenyl-4-(fluoromethylidene)-5-methylidene-1H-pyrrole (CID 134462285) is (4Z)-2-[(Z)-but-1-enyl]-3-ethenyl-4-(fluoromethylidene)-5-methylidene-1H-pyrrole.
What is the SMILES notation for (4Z)-2-[(Z)-but-1-enyl]-3-ethenyl-4-(fluoromethylidene)-5-methylidene-1H-pyrrole?
The canonical SMILES for (4Z)-2-[(Z)-but-1-enyl]-3-ethenyl-4-(fluoromethylidene)-5-methylidene-1H-pyrrole is C=Cc1c(/C=C\CC)[nH]c(=C)/c1=C\F.
What is the InChIKey of (4Z)-2-[(Z)-but-1-enyl]-3-ethenyl-4-(fluoromethylidene)-5-methylidene-1H-pyrrole?
The InChIKey is MUFMZYUENKXXGN-BQGCWICQSA-N. The full InChI is InChI=1S/C12H14FN/c1-4-6-7-12-10(5-2)11(8-13)9(3)14-12/h5-8,14H,2-4H2,1H3/b7-6-,11-8+.
What are the key properties of (4Z)-2-[(Z)-but-1-enyl]-3-ethenyl-4-(fluoromethylidene)-5-methylidene-1H-pyrrole?
(4Z)-2-[(Z)-but-1-enyl]-3-ethenyl-4-(fluoromethylidene)-5-methylidene-1H-pyrrole has a molecular weight of 191.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-[(Z)-but-1-enyl]-3-ethenyl-4-(fluoromethylidene)-5-methylidene-1H-pyrrole is sourced from PubChem (CID 134462285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).