N,4,5-trimethyl-1,2-dihydropyrrol-3-imine

C7H12N2 — CID 139338572

IUPACN,4,5-trimethyl-1,2-dihydropyrrol-3-imine
SMILESC/N=C1\CNC(C)=C1C
InChIInChI=1S/C7H12N2/c1-5-6(2)9-4-7(5)8-3/h9H,4H2,1-3H3/b8-7+
InChIKeyWMLIKDNZYNDFNU-BQYQJAHWSA-N
MW124.19 g/mol
LogP0.95
Rot. Bonds

About N,4,5-trimethyl-1,2-dihydropyrrol-3-imine

N,4,5-trimethyl-1,2-dihydropyrrol-3-imine (PubChem CID 139338572) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N,4,5-trimethyl-1,2-dihydropyrrol-3-imine.

Molecular Properties

Compound NameN,4,5-trimethyl-1,2-dihydropyrrol-3-imine
PubChem CID139338572
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN,4,5-trimethyl-1,2-dihydropyrrol-3-imine
SMILESC/N=C1\CNC(C)=C1C
InChIInChI=1S/C7H12N2/c1-5-6(2)9-4-7(5)8-3/h9H,4H2,1-3H3/b8-7+
InChIKeyWMLIKDNZYNDFNU-BQYQJAHWSA-N
XLogP0.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.95
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,4,5-trimethyl-1,2-dihydropyrrol-3-imine?
The IUPAC name of N,4,5-trimethyl-1,2-dihydropyrrol-3-imine (CID 139338572) is N,4,5-trimethyl-1,2-dihydropyrrol-3-imine.
What is the SMILES notation for N,4,5-trimethyl-1,2-dihydropyrrol-3-imine?
The canonical SMILES for N,4,5-trimethyl-1,2-dihydropyrrol-3-imine is C/N=C1\CNC(C)=C1C.
What is the InChIKey of N,4,5-trimethyl-1,2-dihydropyrrol-3-imine?
The InChIKey is WMLIKDNZYNDFNU-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-6(2)9-4-7(5)8-3/h9H,4H2,1-3H3/b8-7+.
What are the key properties of N,4,5-trimethyl-1,2-dihydropyrrol-3-imine?
N,4,5-trimethyl-1,2-dihydropyrrol-3-imine has a molecular weight of 124.19 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-1,2-dihydropyrrol-3-imine is sourced from PubChem (CID 139338572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).