2,4-bis(ethenyl)-1-fluoro-3-methyl-5-[(Z)-prop-1-enyl]pyrrole

C12H14FN — CID 143096527

IUPAC2,4-bis(ethenyl)-1-fluoro-3-methyl-5-[(Z)-prop-1-enyl]pyrrole
SMILESC=Cc1c(C)c(C=C)n(F)c1/C=C\C
InChIInChI=1S/C12H14FN/c1-5-8-12-10(6-2)9(4)11(7-3)14(12)13/h5-8H,2-3H2,1,4H3/b8-5-
InChIKeyVUXQNRYBKFQDRB-YVMONPNESA-N
MW191.25 g/mol
LogP3.85
Rot. Bonds3

About 2,4-bis(ethenyl)-1-fluoro-3-methyl-5-[(Z)-prop-1-enyl]pyrrole

2,4-bis(ethenyl)-1-fluoro-3-methyl-5-[(Z)-prop-1-enyl]pyrrole (PubChem CID 143096527) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 2,4-bis(ethenyl)-1-fluoro-3-methyl-5-[(Z)-prop-1-enyl]pyrrole.

Molecular Properties

Compound Name2,4-bis(ethenyl)-1-fluoro-3-methyl-5-[(Z)-prop-1-enyl]pyrrole
PubChem CID143096527
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name2,4-bis(ethenyl)-1-fluoro-3-methyl-5-[(Z)-prop-1-enyl]pyrrole
SMILESC=Cc1c(C)c(C=C)n(F)c1/C=C\C
InChIInChI=1S/C12H14FN/c1-5-8-12-10(6-2)9(4)11(7-3)14(12)13/h5-8H,2-3H2,1,4H3/b8-5-
InChIKeyVUXQNRYBKFQDRB-YVMONPNESA-N
XLogP3.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-bis(ethenyl)-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrole
CID 156568565
2-ethenyl-1,3,5-trimethyl-4-[(Z)-prop-1-enyl]pyrrole
CID 156554069
1-ethenyl-2,3,5-trifluoro-4-methyl-6-[(E)-prop-1-enyl]benzene
CID 139403704
1,5-bis(ethenyl)-2-methyl-3,4,6-tris[(Z)-prop-1-enyl]benzene
CID 143846029
[2-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-phosphanylphosphane
CID 167027514
(2S)-3-[2-[(1Z)-buta-1,3-dienyl]-4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]pyrrol-1-yl]-2-hydroxy-2-methylpropanamide
CID 154994049
1-[(E)-1-[4-ethenyl-1,2-dimethyl-5-[(Z)-prop-1-enyl]pyrrol-3-yl]prop-1-en-2-yl]-3-methyl-2,4,5-tris[(Z)-prop-1-enyl]pyrrole
CID 170020003
ethane;2-ethenyl-1,4-dimethyl-3-[(Z)-prop-1-enyl]pyrrole
CID 178086762
3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole
CID 144680666
ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]triazine
CID 142959925
3-ethenyl-5-methyl-2,6-bis[(Z)-prop-1-enyl]thiopyran-4-one
CID 134285804
3-ethenyl-1,4-dimethyl-2,5-dimethylidenepyrrole
CID 130351512

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(ethenyl)-1-fluoro-3-methyl-5-[(Z)-prop-1-enyl]pyrrole?
The IUPAC name of 2,4-bis(ethenyl)-1-fluoro-3-methyl-5-[(Z)-prop-1-enyl]pyrrole (CID 143096527) is 2,4-bis(ethenyl)-1-fluoro-3-methyl-5-[(Z)-prop-1-enyl]pyrrole.
What is the SMILES notation for 2,4-bis(ethenyl)-1-fluoro-3-methyl-5-[(Z)-prop-1-enyl]pyrrole?
The canonical SMILES for 2,4-bis(ethenyl)-1-fluoro-3-methyl-5-[(Z)-prop-1-enyl]pyrrole is C=Cc1c(C)c(C=C)n(F)c1/C=C\C.
What is the InChIKey of 2,4-bis(ethenyl)-1-fluoro-3-methyl-5-[(Z)-prop-1-enyl]pyrrole?
The InChIKey is VUXQNRYBKFQDRB-YVMONPNESA-N. The full InChI is InChI=1S/C12H14FN/c1-5-8-12-10(6-2)9(4)11(7-3)14(12)13/h5-8H,2-3H2,1,4H3/b8-5-.
What are the key properties of 2,4-bis(ethenyl)-1-fluoro-3-methyl-5-[(Z)-prop-1-enyl]pyrrole?
2,4-bis(ethenyl)-1-fluoro-3-methyl-5-[(Z)-prop-1-enyl]pyrrole has a molecular weight of 191.25 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(ethenyl)-1-fluoro-3-methyl-5-[(Z)-prop-1-enyl]pyrrole is sourced from PubChem (CID 143096527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).