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

C10H12N2 — CID 126593325

IUPACN'-ethenyl-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide
SMILESC=C/N=C(\N)C1=C(C)C(=C)C=C1
InChIInChI=1S/C10H12N2/c1-4-12-10(11)9-6-5-7(2)8(9)3/h4-6H,1-2H2,3H3,(H2,11,12)
InChIKeyZWOMPTCIQCODLP-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.93
Rot. Bonds2

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

N'-ethenyl-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide (PubChem CID 126593325) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N'-ethenyl-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide.

Molecular Properties

Compound NameN'-ethenyl-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide
PubChem CID126593325
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN'-ethenyl-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide
SMILESC=C/N=C(\N)C1=C(C)C(=C)C=C1
InChIInChI=1S/C10H12N2/c1-4-12-10(11)9-6-5-7(2)8(9)3/h4-6H,1-2H2,3H3,(H2,11,12)
InChIKeyZWOMPTCIQCODLP-UHFFFAOYSA-N
XLogP1.93
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.93
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-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide?
The IUPAC name of N'-ethenyl-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide (CID 126593325) is N'-ethenyl-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide.
What is the SMILES notation for N'-ethenyl-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide?
The canonical SMILES for N'-ethenyl-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide is C=C/N=C(\N)C1=C(C)C(=C)C=C1.
What is the InChIKey of N'-ethenyl-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide?
The InChIKey is ZWOMPTCIQCODLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-4-12-10(11)9-6-5-7(2)8(9)3/h4-6H,1-2H2,3H3,(H2,11,12).
What are the key properties of N'-ethenyl-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide?
N'-ethenyl-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide has a molecular weight of 160.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide is sourced from PubChem (CID 126593325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).