ethane;ethene;N-ethenylprop-2-en-1-imine

C9H17N — CID 145208086

IUPACethane;ethene;N-ethenylprop-2-en-1-imine
SMILESC=C.C=C/C=N/C=C.CC
InChIInChI=1S/C5H7N.C2H6.C2H4/c1-3-5-6-4-2;2*1-2/h3-5H,1-2H2;1-2H3;1-2H2/b6-5+;;
InChIKeyVFWLMLTWGDOAQO-TXOOBNKBSA-N
MW139.24 g/mol
LogP3.22
Rot. Bonds2

About ethane;ethene;N-ethenylprop-2-en-1-imine

ethane;ethene;N-ethenylprop-2-en-1-imine (PubChem CID 145208086) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is ethane;ethene;N-ethenylprop-2-en-1-imine.

Molecular Properties

Compound Nameethane;ethene;N-ethenylprop-2-en-1-imine
PubChem CID145208086
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Nameethane;ethene;N-ethenylprop-2-en-1-imine
SMILESC=C.C=C/C=N/C=C.CC
InChIInChI=1S/C5H7N.C2H6.C2H4/c1-3-5-6-4-2;2*1-2/h3-5H,1-2H2;1-2H3;1-2H2/b6-5+;;
InChIKeyVFWLMLTWGDOAQO-TXOOBNKBSA-N
XLogP3.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine
CID 142114329
ethane;N'-methyl-N-prop-2-enylidenemethanimidamide
CID 143794244
ethane;N-ethenylprop-2-en-1-imine;1-methylpiperazine;propane
CID 169104195
buta-1,3-diene;ethane;N-ethenylethanimine
CID 142052316
(2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine
CID 163564879
(prop-2-enylideneamino)methylidenetungsten
CID 58828847
buta-1,3-diene;ethane;N-ethenylpropan-1-imine
CID 143326311
(2Z)-N-ethenyl-2-hydrazinylideneethanimine
CID 173379673
(Z)-N-ethenyl-N'-ethylideneprop-2-ene-1,3-diimine
CID 126660383
ethane;N-ethenylethanimine;propane
CID 143338829
N-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine
CID 170195757
ethane;N'-ethenyl-N-prop-2-enylideneethanimidamide
CID 144981959

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;N-ethenylprop-2-en-1-imine?
The IUPAC name of ethane;ethene;N-ethenylprop-2-en-1-imine (CID 145208086) is ethane;ethene;N-ethenylprop-2-en-1-imine.
What is the SMILES notation for ethane;ethene;N-ethenylprop-2-en-1-imine?
The canonical SMILES for ethane;ethene;N-ethenylprop-2-en-1-imine is C=C.C=C/C=N/C=C.CC.
What is the InChIKey of ethane;ethene;N-ethenylprop-2-en-1-imine?
The InChIKey is VFWLMLTWGDOAQO-TXOOBNKBSA-N. The full InChI is InChI=1S/C5H7N.C2H6.C2H4/c1-3-5-6-4-2;2*1-2/h3-5H,1-2H2;1-2H3;1-2H2/b6-5+;;.
What are the key properties of ethane;ethene;N-ethenylprop-2-en-1-imine?
ethane;ethene;N-ethenylprop-2-en-1-imine has a molecular weight of 139.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;N-ethenylprop-2-en-1-imine is sourced from PubChem (CID 145208086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).