1-but-1-en-2-ylpyrrolidin-2-imine;ethane

C10H20N2 — CID 176660296

IUPAC1-but-1-en-2-ylpyrrolidin-2-imine;ethane
SMILESCC.[H]/N=C1\CCCN1C(=C)CC
InChIInChI=1S/C8H14N2.C2H6/c1-3-7(2)10-6-4-5-8(10)9;1-2/h9H,2-6H2,1H3;1-2H3/b9-8+;
InChIKeyOOQHOVVBGFRPPH-HRNDJLQDSA-N
MW168.28 g/mol
LogP3.01
Rot. Bonds2

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

1-but-1-en-2-ylpyrrolidin-2-imine;ethane (PubChem CID 176660296) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-but-1-en-2-ylpyrrolidin-2-imine;ethane.

Molecular Properties

Compound Name1-but-1-en-2-ylpyrrolidin-2-imine;ethane
PubChem CID176660296
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-but-1-en-2-ylpyrrolidin-2-imine;ethane
SMILESCC.[H]/N=C1\CCCN1C(=C)CC
InChIInChI=1S/C8H14N2.C2H6/c1-3-7(2)10-6-4-5-8(10)9;1-2/h9H,2-6H2,1H3;1-2H3/b9-8+;
InChIKeyOOQHOVVBGFRPPH-HRNDJLQDSA-N
XLogP3.01
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.01
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;ethane?
The IUPAC name of 1-but-1-en-2-ylpyrrolidin-2-imine;ethane (CID 176660296) is 1-but-1-en-2-ylpyrrolidin-2-imine;ethane.
What is the SMILES notation for 1-but-1-en-2-ylpyrrolidin-2-imine;ethane?
The canonical SMILES for 1-but-1-en-2-ylpyrrolidin-2-imine;ethane is CC.[H]/N=C1\CCCN1C(=C)CC.
What is the InChIKey of 1-but-1-en-2-ylpyrrolidin-2-imine;ethane?
The InChIKey is OOQHOVVBGFRPPH-HRNDJLQDSA-N. The full InChI is InChI=1S/C8H14N2.C2H6/c1-3-7(2)10-6-4-5-8(10)9;1-2/h9H,2-6H2,1H3;1-2H3/b9-8+;.
What are the key properties of 1-but-1-en-2-ylpyrrolidin-2-imine;ethane?
1-but-1-en-2-ylpyrrolidin-2-imine;ethane has a molecular weight of 168.28 g/mol, XLogP of 3.01, 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;ethane is sourced from PubChem (CID 176660296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).