3-ethyl-N-methyl-1,3-dihydropyrrol-2-imine

C7H12N2 — CID 137291308

IUPAC3-ethyl-N-methyl-1,3-dihydropyrrol-2-imine
SMILESCCC1C=CN/C1=N\C
InChIInChI=1S/C7H12N2/c1-3-6-4-5-9-7(6)8-2/h4-6H,3H2,1-2H3,(H,8,9)
InChIKeyMNEONGNPYVANFZ-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.16
Rot. Bonds1

About 3-ethyl-N-methyl-1,3-dihydropyrrol-2-imine

3-ethyl-N-methyl-1,3-dihydropyrrol-2-imine (PubChem CID 137291308) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1,3-dihydropyrrol-2-imine.

Molecular Properties

Compound Name3-ethyl-N-methyl-1,3-dihydropyrrol-2-imine
PubChem CID137291308
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-ethyl-N-methyl-1,3-dihydropyrrol-2-imine
SMILESCCC1C=CN/C1=N\C
InChIInChI=1S/C7H12N2/c1-3-6-4-5-9-7(6)8-2/h4-6H,3H2,1-2H3,(H,8,9)
InChIKeyMNEONGNPYVANFZ-UHFFFAOYSA-N
XLogP1.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-ethyl-N-methyl-1,3-dihydropyrrol-2-imine?
The IUPAC name of 3-ethyl-N-methyl-1,3-dihydropyrrol-2-imine (CID 137291308) is 3-ethyl-N-methyl-1,3-dihydropyrrol-2-imine.
What is the SMILES notation for 3-ethyl-N-methyl-1,3-dihydropyrrol-2-imine?
The canonical SMILES for 3-ethyl-N-methyl-1,3-dihydropyrrol-2-imine is CCC1C=CN/C1=N\C.
What is the InChIKey of 3-ethyl-N-methyl-1,3-dihydropyrrol-2-imine?
The InChIKey is MNEONGNPYVANFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-6-4-5-9-7(6)8-2/h4-6H,3H2,1-2H3,(H,8,9).
What are the key properties of 3-ethyl-N-methyl-1,3-dihydropyrrol-2-imine?
3-ethyl-N-methyl-1,3-dihydropyrrol-2-imine has a molecular weight of 124.19 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-1,3-dihydropyrrol-2-imine is sourced from PubChem (CID 137291308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).