N-methyl-3-methylidene-1H-pyrrol-2-imine

C6H8N2 — CID 144545721

IUPACN-methyl-3-methylidene-1H-pyrrol-2-imine
SMILESC=C1C=CN/C1=N\C
InChIInChI=1S/C6H8N2/c1-5-3-4-8-6(5)7-2/h3-4H,1H2,2H3,(H,7,8)
InChIKeyQXLNQYVHSYVKFR-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.69
Rot. Bonds

About N-methyl-3-methylidene-1H-pyrrol-2-imine

N-methyl-3-methylidene-1H-pyrrol-2-imine (PubChem CID 144545721) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is N-methyl-3-methylidene-1H-pyrrol-2-imine.

Molecular Properties

Compound NameN-methyl-3-methylidene-1H-pyrrol-2-imine
PubChem CID144545721
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC NameN-methyl-3-methylidene-1H-pyrrol-2-imine
SMILESC=C1C=CN/C1=N\C
InChIInChI=1S/C6H8N2/c1-5-3-4-8-6(5)7-2/h3-4H,1H2,2H3,(H,7,8)
InChIKeyQXLNQYVHSYVKFR-UHFFFAOYSA-N
XLogP0.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.69
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'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylidene-1H-pyrrol-2-imine?
The IUPAC name of N-methyl-3-methylidene-1H-pyrrol-2-imine (CID 144545721) is N-methyl-3-methylidene-1H-pyrrol-2-imine.
What is the SMILES notation for N-methyl-3-methylidene-1H-pyrrol-2-imine?
The canonical SMILES for N-methyl-3-methylidene-1H-pyrrol-2-imine is C=C1C=CN/C1=N\C.
What is the InChIKey of N-methyl-3-methylidene-1H-pyrrol-2-imine?
The InChIKey is QXLNQYVHSYVKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-5-3-4-8-6(5)7-2/h3-4H,1H2,2H3,(H,7,8).
What are the key properties of N-methyl-3-methylidene-1H-pyrrol-2-imine?
N-methyl-3-methylidene-1H-pyrrol-2-imine has a molecular weight of 108.14 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidene-1H-pyrrol-2-imine is sourced from PubChem (CID 144545721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).