(E)-3-ethenyl-N,N-diethylnon-2-enamide

C15H27NO — CID 101369156

IUPAC(E)-3-ethenyl-N,N-diethylnon-2-enamide
SMILESC=C/C(=C/C(=O)N(CC)CC)CCCCCC
InChIInChI=1S/C15H27NO/c1-5-9-10-11-12-14(6-2)13-15(17)16(7-3)8-4/h6,13H,2,5,7-12H2,1,3-4H3/b14-13-
InChIKeySORXMESMPIQGOJ-YPKPFQOOSA-N
MW237.39 g/mol
LogP3.94
Rot. Bonds9

About (E)-3-ethenyl-N,N-diethylnon-2-enamide

(E)-3-ethenyl-N,N-diethylnon-2-enamide (PubChem CID 101369156) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (E)-3-ethenyl-N,N-diethylnon-2-enamide.

Molecular Properties

Compound Name(E)-3-ethenyl-N,N-diethylnon-2-enamide
PubChem CID101369156
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(E)-3-ethenyl-N,N-diethylnon-2-enamide
SMILESC=C/C(=C/C(=O)N(CC)CC)CCCCCC
InChIInChI=1S/C15H27NO/c1-5-9-10-11-12-14(6-2)13-15(17)16(7-3)8-4/h6,13H,2,5,7-12H2,1,3-4H3/b14-13-
InChIKeySORXMESMPIQGOJ-YPKPFQOOSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 44283994
(2E,4E)-5,9-dimethyl-N,N-di(propan-2-yl)deca-2,4,8-trienamide
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(E)-N,N-diethyl dec-2-enamide
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1-ethyl-5-[(E)-5-fluorooct-2-enyl]pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethenyl-N,N-diethylnon-2-enamide?
The IUPAC name of (E)-3-ethenyl-N,N-diethylnon-2-enamide (CID 101369156) is (E)-3-ethenyl-N,N-diethylnon-2-enamide.
What is the SMILES notation for (E)-3-ethenyl-N,N-diethylnon-2-enamide?
The canonical SMILES for (E)-3-ethenyl-N,N-diethylnon-2-enamide is C=C/C(=C/C(=O)N(CC)CC)CCCCCC.
What is the InChIKey of (E)-3-ethenyl-N,N-diethylnon-2-enamide?
The InChIKey is SORXMESMPIQGOJ-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-9-10-11-12-14(6-2)13-15(17)16(7-3)8-4/h6,13H,2,5,7-12H2,1,3-4H3/b14-13-.
What are the key properties of (E)-3-ethenyl-N,N-diethylnon-2-enamide?
(E)-3-ethenyl-N,N-diethylnon-2-enamide has a molecular weight of 237.39 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethenyl-N,N-diethylnon-2-enamide is sourced from PubChem (CID 101369156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).