1-but-1-en-2-ylpyrrolidin-2-imine

C8H14N2 — CID 176660297

IUPAC1-but-1-en-2-ylpyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C(=C)CC
InChIInChI=1S/C8H14N2/c1-3-7(2)10-6-4-5-8(10)9/h9H,2-6H2,1H3/b9-8+
InChIKeyVPJYAGLUQSKEDC-CMDGGOBGSA-N
MW138.21 g/mol
LogP1.98
Rot. Bonds2

About 1-but-1-en-2-ylpyrrolidin-2-imine

1-but-1-en-2-ylpyrrolidin-2-imine (PubChem CID 176660297) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-but-1-en-2-ylpyrrolidin-2-imine.

Molecular Properties

Compound Name1-but-1-en-2-ylpyrrolidin-2-imine
PubChem CID176660297
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-but-1-en-2-ylpyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C(=C)CC
InChIInChI=1S/C8H14N2/c1-3-7(2)10-6-4-5-8(10)9/h9H,2-6H2,1H3/b9-8+
InChIKeyVPJYAGLUQSKEDC-CMDGGOBGSA-N
XLogP1.98
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.98
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-but-1-en-2-ylpyrrolidin-2-imine?
The IUPAC name of 1-but-1-en-2-ylpyrrolidin-2-imine (CID 176660297) is 1-but-1-en-2-ylpyrrolidin-2-imine.
What is the SMILES notation for 1-but-1-en-2-ylpyrrolidin-2-imine?
The canonical SMILES for 1-but-1-en-2-ylpyrrolidin-2-imine is [H]/N=C1\CCCN1C(=C)CC.
What is the InChIKey of 1-but-1-en-2-ylpyrrolidin-2-imine?
The InChIKey is VPJYAGLUQSKEDC-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-7(2)10-6-4-5-8(10)9/h9H,2-6H2,1H3/b9-8+.
What are the key properties of 1-but-1-en-2-ylpyrrolidin-2-imine?
1-but-1-en-2-ylpyrrolidin-2-imine has a molecular weight of 138.21 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-ylpyrrolidin-2-imine is sourced from PubChem (CID 176660297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).