N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide

C10H11FN2 — CID 142470342

IUPACN'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide
SMILESC=C/N=C(\N)C1=C(C)C(=C)C=C1F
InChIInChI=1S/C10H11FN2/c1-4-13-10(12)9-7(3)6(2)5-8(9)11/h4-5H,1-2H2,3H3,(H2,12,13)
InChIKeyBZBMIHOGKGMRNE-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.23
Rot. Bonds2

About N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide

N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide (PubChem CID 142470342) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide.

Molecular Properties

Compound NameN'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide
PubChem CID142470342
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC NameN'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide
SMILESC=C/N=C(\N)C1=C(C)C(=C)C=C1F
InChIInChI=1S/C10H11FN2/c1-4-13-10(12)9-7(3)6(2)5-8(9)11/h4-5H,1-2H2,3H3,(H2,12,13)
InChIKeyBZBMIHOGKGMRNE-UHFFFAOYSA-N
XLogP2.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide?
The IUPAC name of N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide (CID 142470342) is N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide.
What is the SMILES notation for N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide?
The canonical SMILES for N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide is C=C/N=C(\N)C1=C(C)C(=C)C=C1F.
What is the InChIKey of N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide?
The InChIKey is BZBMIHOGKGMRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-4-13-10(12)9-7(3)6(2)5-8(9)11/h4-5H,1-2H2,3H3,(H2,12,13).
What are the key properties of N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide?
N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide has a molecular weight of 178.21 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide is sourced from PubChem (CID 142470342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).