N-methyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine

C7H12N2 — CID 91050499

IUPACN-methyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine
SMILESC/N=C/C1=C(C)CNC1
InChIInChI=1S/C7H12N2/c1-6-3-9-5-7(6)4-8-2/h4,9H,3,5H2,1-2H3/b8-4+
InChIKeyZEXRFEMBBIUTGN-XBXARRHUSA-N
MW124.19 g/mol
LogP0.61
Rot. Bonds1

About N-methyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine

N-methyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine (PubChem CID 91050499) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine
PubChem CID91050499
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-methyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine
SMILESC/N=C/C1=C(C)CNC1
InChIInChI=1S/C7H12N2/c1-6-3-9-5-7(6)4-8-2/h4,9H,3,5H2,1-2H3/b8-4+
InChIKeyZEXRFEMBBIUTGN-XBXARRHUSA-N
XLogP0.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-methyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine?
The IUPAC name of N-methyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine (CID 91050499) is N-methyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine.
What is the SMILES notation for N-methyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine?
The canonical SMILES for N-methyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine is C/N=C/C1=C(C)CNC1.
What is the InChIKey of N-methyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine?
The InChIKey is ZEXRFEMBBIUTGN-XBXARRHUSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-3-9-5-7(6)4-8-2/h4,9H,3,5H2,1-2H3/b8-4+.
What are the key properties of N-methyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine?
N-methyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine has a molecular weight of 124.19 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine is sourced from PubChem (CID 91050499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).