(3Z,4E)-4-but-3-en-2-ylidene-3-(1-fluoroethylidene)-2-methyl-5-methylidenepyrrole

C12H14FN — CID 143358710

IUPAC(3Z,4E)-4-but-3-en-2-ylidene-3-(1-fluoroethylidene)-2-methyl-5-methylidenepyrrole
SMILESC=C/C(C)=C1/C(=C)N=C(C)/C1=C(/C)F
InChIInChI=1S/C12H14FN/c1-6-7(2)11-9(4)14-10(5)12(11)8(3)13/h6H,1,4H2,2-3,5H3/b11-7-,12-8+
InChIKeyAJTGEWIRRZZUHS-NTLHZVPKSA-N
MW191.25 g/mol
LogP3.72
Rot. Bonds1

About (3Z,4E)-4-but-3-en-2-ylidene-3-(1-fluoroethylidene)-2-methyl-5-methylidenepyrrole

(3Z,4E)-4-but-3-en-2-ylidene-3-(1-fluoroethylidene)-2-methyl-5-methylidenepyrrole (PubChem CID 143358710) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is (3Z,4E)-4-but-3-en-2-ylidene-3-(1-fluoroethylidene)-2-methyl-5-methylidenepyrrole.

Molecular Properties

Compound Name(3Z,4E)-4-but-3-en-2-ylidene-3-(1-fluoroethylidene)-2-methyl-5-methylidenepyrrole
PubChem CID143358710
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name(3Z,4E)-4-but-3-en-2-ylidene-3-(1-fluoroethylidene)-2-methyl-5-methylidenepyrrole
SMILESC=C/C(C)=C1/C(=C)N=C(C)/C1=C(/C)F
InChIInChI=1S/C12H14FN/c1-6-7(2)11-9(4)14-10(5)12(11)8(3)13/h6H,1,4H2,2-3,5H3/b11-7-,12-8+
InChIKeyAJTGEWIRRZZUHS-NTLHZVPKSA-N
XLogP3.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3Z,4E)-4-but-3-en-2-ylidene-3-(1-fluoroethylidene)-2-methyl-5-methylidenepyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6E)-2-(difluoromethyl)-6-ethylidene-3,4-dimethyl-5-methylidenepyridine
CID 117618725
5-fluoro-3,3,5-trimethyl-2-[(E)-prop-1-enyl]cyclohepta[b]pyrrole
CID 142292207
(E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine
CID 145128279
N-[(2Z,6E,8E)-8-fluoro-6-methylundeca-2,6,8,10-tetraen-3-yl]propan-2-imine
CID 156544831
2-Ethyl-3,4-dimethylcyclopenta[b]pyrrole
CID 70018656
3,4-Diethyl-2-methylideneindole
CID 87814049
(5E)-3-ethyl-2,4-dimethyl-5-propylidenepyrrole
CID 88975479
2-[(3E)-hepta-1,3-dien-4-yl]-5-methylidenepyrrole
CID 90261573
2-Propylcyclopenta[b]pyrrole
CID 90767705
(4E)-2-methyl-5-methylidene-3-propan-2-ylidene-4-prop-2-enylidenepyrrole
CID 118198740
N-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine
CID 123493065
1-cyclopenta-1,3-dien-1-yl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine
CID 126661394

Frequently Asked Questions

What is the IUPAC name of (3Z,4E)-4-but-3-en-2-ylidene-3-(1-fluoroethylidene)-2-methyl-5-methylidenepyrrole?
The IUPAC name of (3Z,4E)-4-but-3-en-2-ylidene-3-(1-fluoroethylidene)-2-methyl-5-methylidenepyrrole (CID 143358710) is (3Z,4E)-4-but-3-en-2-ylidene-3-(1-fluoroethylidene)-2-methyl-5-methylidenepyrrole.
What is the SMILES notation for (3Z,4E)-4-but-3-en-2-ylidene-3-(1-fluoroethylidene)-2-methyl-5-methylidenepyrrole?
The canonical SMILES for (3Z,4E)-4-but-3-en-2-ylidene-3-(1-fluoroethylidene)-2-methyl-5-methylidenepyrrole is C=C/C(C)=C1/C(=C)N=C(C)/C1=C(/C)F.
What is the InChIKey of (3Z,4E)-4-but-3-en-2-ylidene-3-(1-fluoroethylidene)-2-methyl-5-methylidenepyrrole?
The InChIKey is AJTGEWIRRZZUHS-NTLHZVPKSA-N. The full InChI is InChI=1S/C12H14FN/c1-6-7(2)11-9(4)14-10(5)12(11)8(3)13/h6H,1,4H2,2-3,5H3/b11-7-,12-8+.
What are the key properties of (3Z,4E)-4-but-3-en-2-ylidene-3-(1-fluoroethylidene)-2-methyl-5-methylidenepyrrole?
(3Z,4E)-4-but-3-en-2-ylidene-3-(1-fluoroethylidene)-2-methyl-5-methylidenepyrrole has a molecular weight of 191.25 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4E)-4-but-3-en-2-ylidene-3-(1-fluoroethylidene)-2-methyl-5-methylidenepyrrole is sourced from PubChem (CID 143358710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).