ethane;N-ethenylethanimine;propanal

C9H19NO — CID 143779981

IUPACethane;N-ethenylethanimine;propanal
SMILESC=C/N=C/C.CC.CCC=O
InChIInChI=1S/C4H7N.C3H6O.C2H6/c1-3-5-4-2;1-2-3-4;1-2/h3-4H,1H2,2H3;3H,2H2,1H3;1-2H3/b5-4+;;
InChIKeyKQKHAETYLBIHNJ-SFKRKKMESA-N
MW157.26 g/mol
LogP2.84
Rot. Bonds2

About ethane;N-ethenylethanimine;propanal

ethane;N-ethenylethanimine;propanal (PubChem CID 143779981) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is ethane;N-ethenylethanimine;propanal.

Molecular Properties

Compound Nameethane;N-ethenylethanimine;propanal
PubChem CID143779981
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nameethane;N-ethenylethanimine;propanal
SMILESC=C/N=C/C.CC.CCC=O
InChIInChI=1S/C4H7N.C3H6O.C2H6/c1-3-5-4-2;1-2-3-4;1-2/h3-4H,1H2,2H3;3H,2H2,1H3;1-2H3/b5-4+;;
InChIKeyKQKHAETYLBIHNJ-SFKRKKMESA-N
XLogP2.84
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 143326311
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(Z)-N-ethenyl-N'-ethylideneprop-2-ene-1,3-diimine
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CID 147915693

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenylethanimine;propanal?
The IUPAC name of ethane;N-ethenylethanimine;propanal (CID 143779981) is ethane;N-ethenylethanimine;propanal.
What is the SMILES notation for ethane;N-ethenylethanimine;propanal?
The canonical SMILES for ethane;N-ethenylethanimine;propanal is C=C/N=C/C.CC.CCC=O.
What is the InChIKey of ethane;N-ethenylethanimine;propanal?
The InChIKey is KQKHAETYLBIHNJ-SFKRKKMESA-N. The full InChI is InChI=1S/C4H7N.C3H6O.C2H6/c1-3-5-4-2;1-2-3-4;1-2/h3-4H,1H2,2H3;3H,2H2,1H3;1-2H3/b5-4+;;.
What are the key properties of ethane;N-ethenylethanimine;propanal?
ethane;N-ethenylethanimine;propanal has a molecular weight of 157.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenylethanimine;propanal is sourced from PubChem (CID 143779981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).