[1-methyl-2-(methylideneamino)pyrrol-3-yl]methanimine

C7H9N3 — CID 90250317

IUPAC[1-methyl-2-(methylideneamino)pyrrol-3-yl]methanimine
SMILES[H]/N=C/c1ccn(C)c1N=C
InChIInChI=1S/C7H9N3/c1-9-7-6(5-8)3-4-10(7)2/h3-5,8H,1H2,2H3/b8-5+
InChIKeyXNWUXTWYGDXFDF-VMPITWQZSA-N
MW135.17 g/mol
LogP1.35
Rot. Bonds2

About [1-methyl-2-(methylideneamino)pyrrol-3-yl]methanimine

[1-methyl-2-(methylideneamino)pyrrol-3-yl]methanimine (PubChem CID 90250317) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is [1-methyl-2-(methylideneamino)pyrrol-3-yl]methanimine.

Molecular Properties

Compound Name[1-methyl-2-(methylideneamino)pyrrol-3-yl]methanimine
PubChem CID90250317
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name[1-methyl-2-(methylideneamino)pyrrol-3-yl]methanimine
SMILES[H]/N=C/c1ccn(C)c1N=C
InChIInChI=1S/C7H9N3/c1-9-7-6(5-8)3-4-10(7)2/h3-5,8H,1H2,2H3/b8-5+
InChIKeyXNWUXTWYGDXFDF-VMPITWQZSA-N
XLogP1.35
TPSA41.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(methylideneamino)pyrrol-3-yl]methanimine?
The IUPAC name of [1-methyl-2-(methylideneamino)pyrrol-3-yl]methanimine (CID 90250317) is [1-methyl-2-(methylideneamino)pyrrol-3-yl]methanimine.
What is the SMILES notation for [1-methyl-2-(methylideneamino)pyrrol-3-yl]methanimine?
The canonical SMILES for [1-methyl-2-(methylideneamino)pyrrol-3-yl]methanimine is [H]/N=C/c1ccn(C)c1N=C.
What is the InChIKey of [1-methyl-2-(methylideneamino)pyrrol-3-yl]methanimine?
The InChIKey is XNWUXTWYGDXFDF-VMPITWQZSA-N. The full InChI is InChI=1S/C7H9N3/c1-9-7-6(5-8)3-4-10(7)2/h3-5,8H,1H2,2H3/b8-5+.
What are the key properties of [1-methyl-2-(methylideneamino)pyrrol-3-yl]methanimine?
[1-methyl-2-(methylideneamino)pyrrol-3-yl]methanimine has a molecular weight of 135.17 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(methylideneamino)pyrrol-3-yl]methanimine is sourced from PubChem (CID 90250317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).