ethane;N-pent-1-en-2-ylprop-2-en-1-imine

C10H19N — CID 142986996

IUPACethane;N-pent-1-en-2-ylprop-2-en-1-imine
SMILESC=C/C=N/C(=C)CCC.CC
InChIInChI=1S/C8H13N.C2H6/c1-4-6-8(3)9-7-5-2;1-2/h5,7H,2-4,6H2,1H3;1-2H3/b9-7+;
InChIKeyIJSFBJHBBMMRNK-BXTVWIJMSA-N
MW153.27 g/mol
LogP3.58
Rot. Bonds4

About ethane;N-pent-1-en-2-ylprop-2-en-1-imine

ethane;N-pent-1-en-2-ylprop-2-en-1-imine (PubChem CID 142986996) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is ethane;N-pent-1-en-2-ylprop-2-en-1-imine.

Molecular Properties

Compound Nameethane;N-pent-1-en-2-ylprop-2-en-1-imine
PubChem CID142986996
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Nameethane;N-pent-1-en-2-ylprop-2-en-1-imine
SMILESC=C/C=N/C(=C)CCC.CC
InChIInChI=1S/C8H13N.C2H6/c1-4-6-8(3)9-7-5-2;1-2/h5,7H,2-4,6H2,1H3;1-2H3/b9-7+;
InChIKeyIJSFBJHBBMMRNK-BXTVWIJMSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.58
H-Bond Donors ≤ 50
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 ethane;N-pent-1-en-2-ylprop-2-en-1-imine?
The IUPAC name of ethane;N-pent-1-en-2-ylprop-2-en-1-imine (CID 142986996) is ethane;N-pent-1-en-2-ylprop-2-en-1-imine.
What is the SMILES notation for ethane;N-pent-1-en-2-ylprop-2-en-1-imine?
The canonical SMILES for ethane;N-pent-1-en-2-ylprop-2-en-1-imine is C=C/C=N/C(=C)CCC.CC.
What is the InChIKey of ethane;N-pent-1-en-2-ylprop-2-en-1-imine?
The InChIKey is IJSFBJHBBMMRNK-BXTVWIJMSA-N. The full InChI is InChI=1S/C8H13N.C2H6/c1-4-6-8(3)9-7-5-2;1-2/h5,7H,2-4,6H2,1H3;1-2H3/b9-7+;.
What are the key properties of ethane;N-pent-1-en-2-ylprop-2-en-1-imine?
ethane;N-pent-1-en-2-ylprop-2-en-1-imine has a molecular weight of 153.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-pent-1-en-2-ylprop-2-en-1-imine is sourced from PubChem (CID 142986996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).