1-pyrrolidin-2-ylprop-2-en-1-imine

C7H12N2 — CID 142075743

IUPAC1-pyrrolidin-2-ylprop-2-en-1-imine
SMILES[H]/N=C(\C=C)C1CCCN1
InChIInChI=1S/C7H12N2/c1-2-6(8)7-4-3-5-9-7/h2,7-9H,1,3-5H2/b8-6+
InChIKeyQFLHHVZSNCLHJF-SOFGYWHQSA-N
MW124.19 g/mol
LogP0.94
Rot. Bonds2

About 1-pyrrolidin-2-ylprop-2-en-1-imine

1-pyrrolidin-2-ylprop-2-en-1-imine (PubChem CID 142075743) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-pyrrolidin-2-ylprop-2-en-1-imine.

Molecular Properties

Compound Name1-pyrrolidin-2-ylprop-2-en-1-imine
PubChem CID142075743
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-pyrrolidin-2-ylprop-2-en-1-imine
SMILES[H]/N=C(\C=C)C1CCCN1
InChIInChI=1S/C7H12N2/c1-2-6(8)7-4-3-5-9-7/h2,7-9H,1,3-5H2/b8-6+
InChIKeyQFLHHVZSNCLHJF-SOFGYWHQSA-N
XLogP0.94
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.94
H-Bond Donors ≤ 52
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 1-pyrrolidin-2-ylprop-2-en-1-imine?
The IUPAC name of 1-pyrrolidin-2-ylprop-2-en-1-imine (CID 142075743) is 1-pyrrolidin-2-ylprop-2-en-1-imine.
What is the SMILES notation for 1-pyrrolidin-2-ylprop-2-en-1-imine?
The canonical SMILES for 1-pyrrolidin-2-ylprop-2-en-1-imine is [H]/N=C(\C=C)C1CCCN1.
What is the InChIKey of 1-pyrrolidin-2-ylprop-2-en-1-imine?
The InChIKey is QFLHHVZSNCLHJF-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-6(8)7-4-3-5-9-7/h2,7-9H,1,3-5H2/b8-6+.
What are the key properties of 1-pyrrolidin-2-ylprop-2-en-1-imine?
1-pyrrolidin-2-ylprop-2-en-1-imine has a molecular weight of 124.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-ylprop-2-en-1-imine is sourced from PubChem (CID 142075743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).