ethane;N-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)ethanimine

C10H18N2 — CID 142623943

IUPACethane;N-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)ethanimine
SMILESC=CC1=C(/N=C/C)CCN1.CC
InChIInChI=1S/C8H12N2.C2H6/c1-3-7-8(9-4-2)5-6-10-7;1-2/h3-4,10H,1,5-6H2,2H3;1-2H3/b9-4+;
InChIKeyVRADFNIKUCAYLX-JOKMOOFLSA-N
MW166.27 g/mol
LogP2.49
Rot. Bonds2

About ethane;N-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)ethanimine

ethane;N-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)ethanimine (PubChem CID 142623943) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;N-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)ethanimine.

Molecular Properties

Compound Nameethane;N-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)ethanimine
PubChem CID142623943
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;N-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)ethanimine
SMILESC=CC1=C(/N=C/C)CCN1.CC
InChIInChI=1S/C8H12N2.C2H6/c1-3-7-8(9-4-2)5-6-10-7;1-2/h3-4,10H,1,5-6H2,2H3;1-2H3/b9-4+;
InChIKeyVRADFNIKUCAYLX-JOKMOOFLSA-N
XLogP2.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
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 ethane;N-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)ethanimine?
The IUPAC name of ethane;N-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)ethanimine (CID 142623943) is ethane;N-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)ethanimine.
What is the SMILES notation for ethane;N-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)ethanimine?
The canonical SMILES for ethane;N-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)ethanimine is C=CC1=C(/N=C/C)CCN1.CC.
What is the InChIKey of ethane;N-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)ethanimine?
The InChIKey is VRADFNIKUCAYLX-JOKMOOFLSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-3-7-8(9-4-2)5-6-10-7;1-2/h3-4,10H,1,5-6H2,2H3;1-2H3/b9-4+;.
What are the key properties of ethane;N-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)ethanimine?
ethane;N-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)ethanimine has a molecular weight of 166.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)ethanimine is sourced from PubChem (CID 142623943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).