N'-methyl-N-(3-methylidene-1H-pyrrol-2-ylidene)methanimidamide

C7H9N3 — CID 145304837

IUPACN'-methyl-N-(3-methylidene-1H-pyrrol-2-ylidene)methanimidamide
SMILESC=C1C=CN/C1=N\C=N\C
InChIInChI=1S/C7H9N3/c1-6-3-4-9-7(6)10-5-8-2/h3-5H,1H2,2H3,(H,8,9,10)
InChIKeyMFJVDJZIXYQYIT-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.72
Rot. Bonds1

About N'-methyl-N-(3-methylidene-1H-pyrrol-2-ylidene)methanimidamide

N'-methyl-N-(3-methylidene-1H-pyrrol-2-ylidene)methanimidamide (PubChem CID 145304837) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is N'-methyl-N-(3-methylidene-1H-pyrrol-2-ylidene)methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(3-methylidene-1H-pyrrol-2-ylidene)methanimidamide
PubChem CID145304837
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC NameN'-methyl-N-(3-methylidene-1H-pyrrol-2-ylidene)methanimidamide
SMILESC=C1C=CN/C1=N\C=N\C
InChIInChI=1S/C7H9N3/c1-6-3-4-9-7(6)10-5-8-2/h3-5H,1H2,2H3,(H,8,9,10)
InChIKeyMFJVDJZIXYQYIT-UHFFFAOYSA-N
XLogP0.72
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'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'-methyl-N-(3-methylidene-1H-pyrrol-2-ylidene)methanimidamide?
The IUPAC name of N'-methyl-N-(3-methylidene-1H-pyrrol-2-ylidene)methanimidamide (CID 145304837) is N'-methyl-N-(3-methylidene-1H-pyrrol-2-ylidene)methanimidamide.
What is the SMILES notation for N'-methyl-N-(3-methylidene-1H-pyrrol-2-ylidene)methanimidamide?
The canonical SMILES for N'-methyl-N-(3-methylidene-1H-pyrrol-2-ylidene)methanimidamide is C=C1C=CN/C1=N\C=N\C.
What is the InChIKey of N'-methyl-N-(3-methylidene-1H-pyrrol-2-ylidene)methanimidamide?
The InChIKey is MFJVDJZIXYQYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-6-3-4-9-7(6)10-5-8-2/h3-5H,1H2,2H3,(H,8,9,10).
What are the key properties of N'-methyl-N-(3-methylidene-1H-pyrrol-2-ylidene)methanimidamide?
N'-methyl-N-(3-methylidene-1H-pyrrol-2-ylidene)methanimidamide has a molecular weight of 135.17 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methylidene-1H-pyrrol-2-ylidene)methanimidamide is sourced from PubChem (CID 145304837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).