1-propyl-2H-pyrrol-5-imine

C7H12N2 — CID 123728768

IUPAC1-propyl-2H-pyrrol-5-imine
SMILES[H]/N=C1\C=CCN1CCC
InChIInChI=1S/C7H12N2/c1-2-5-9-6-3-4-7(9)8/h3-4,8H,2,5-6H2,1H3/b8-7+
InChIKeyZQPJQASBGILWEW-BQYQJAHWSA-N
MW124.19 g/mol
LogP1.25
Rot. Bonds2

About 1-propyl-2H-pyrrol-5-imine

1-propyl-2H-pyrrol-5-imine (PubChem CID 123728768) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-propyl-2H-pyrrol-5-imine.

Molecular Properties

Compound Name1-propyl-2H-pyrrol-5-imine
PubChem CID123728768
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-propyl-2H-pyrrol-5-imine
SMILES[H]/N=C1\C=CCN1CCC
InChIInChI=1S/C7H12N2/c1-2-5-9-6-3-4-7(9)8/h3-4,8H,2,5-6H2,1H3/b8-7+
InChIKeyZQPJQASBGILWEW-BQYQJAHWSA-N
XLogP1.25
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.25
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 1-propyl-2H-pyrrol-5-imine?
The IUPAC name of 1-propyl-2H-pyrrol-5-imine (CID 123728768) is 1-propyl-2H-pyrrol-5-imine.
What is the SMILES notation for 1-propyl-2H-pyrrol-5-imine?
The canonical SMILES for 1-propyl-2H-pyrrol-5-imine is [H]/N=C1\C=CCN1CCC.
What is the InChIKey of 1-propyl-2H-pyrrol-5-imine?
The InChIKey is ZQPJQASBGILWEW-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-5-9-6-3-4-7(9)8/h3-4,8H,2,5-6H2,1H3/b8-7+.
What are the key properties of 1-propyl-2H-pyrrol-5-imine?
1-propyl-2H-pyrrol-5-imine has a molecular weight of 124.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2H-pyrrol-5-imine is sourced from PubChem (CID 123728768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).