N'-(1-fluoroethenyl)-3-methyl-4-methylidenepyrrole-2-carboximidamide

C9H10FN3 — CID 155779420

IUPACN'-(1-fluoroethenyl)-3-methyl-4-methylidenepyrrole-2-carboximidamide
SMILESC=C(F)/N=C(/N)C1=C(C)C(=C)C=N1
InChIInChI=1S/C9H10FN3/c1-5-4-12-8(6(5)2)9(11)13-7(3)10/h4H,1,3H2,2H3,(H2,11,13)
InChIKeyQJWZWODWELVGPT-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.70
Rot. Bonds2

About N'-(1-fluoroethenyl)-3-methyl-4-methylidenepyrrole-2-carboximidamide

N'-(1-fluoroethenyl)-3-methyl-4-methylidenepyrrole-2-carboximidamide (PubChem CID 155779420) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is N'-(1-fluoroethenyl)-3-methyl-4-methylidenepyrrole-2-carboximidamide.

Molecular Properties

Compound NameN'-(1-fluoroethenyl)-3-methyl-4-methylidenepyrrole-2-carboximidamide
PubChem CID155779420
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC NameN'-(1-fluoroethenyl)-3-methyl-4-methylidenepyrrole-2-carboximidamide
SMILESC=C(F)/N=C(/N)C1=C(C)C(=C)C=N1
InChIInChI=1S/C9H10FN3/c1-5-4-12-8(6(5)2)9(11)13-7(3)10/h4H,1,3H2,2H3,(H2,11,13)
InChIKeyQJWZWODWELVGPT-UHFFFAOYSA-N
XLogP1.70
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1-fluoroethenyl)-3-methyl-4-methylidenepyrrole-2-carboximidamide?
The IUPAC name of N'-(1-fluoroethenyl)-3-methyl-4-methylidenepyrrole-2-carboximidamide (CID 155779420) is N'-(1-fluoroethenyl)-3-methyl-4-methylidenepyrrole-2-carboximidamide.
What is the SMILES notation for N'-(1-fluoroethenyl)-3-methyl-4-methylidenepyrrole-2-carboximidamide?
The canonical SMILES for N'-(1-fluoroethenyl)-3-methyl-4-methylidenepyrrole-2-carboximidamide is C=C(F)/N=C(/N)C1=C(C)C(=C)C=N1.
What is the InChIKey of N'-(1-fluoroethenyl)-3-methyl-4-methylidenepyrrole-2-carboximidamide?
The InChIKey is QJWZWODWELVGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c1-5-4-12-8(6(5)2)9(11)13-7(3)10/h4H,1,3H2,2H3,(H2,11,13).
What are the key properties of N'-(1-fluoroethenyl)-3-methyl-4-methylidenepyrrole-2-carboximidamide?
N'-(1-fluoroethenyl)-3-methyl-4-methylidenepyrrole-2-carboximidamide has a molecular weight of 179.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-fluoroethenyl)-3-methyl-4-methylidenepyrrole-2-carboximidamide is sourced from PubChem (CID 155779420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).