(E)-N,N-diethylhex-3-enamide

C10H19NO — CID 6040997

IUPAC(E)-N,N-diethylhex-3-enamide
SMILESCC/C=C/CC(=O)N(CC)CC
InChIInChI=1S/C10H19NO/c1-4-7-8-9-10(12)11(5-2)6-3/h7-8H,4-6,9H2,1-3H3/b8-7+
InChIKeyCCBCHJHLBWXKJZ-BQYQJAHWSA-N
MW169.27 g/mol
LogP2.21
Rot. Bonds5

About (E)-N,N-diethylhex-3-enamide

(E)-N,N-diethylhex-3-enamide (PubChem CID 6040997) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-N,N-diethylhex-3-enamide.

Molecular Properties

Compound Name(E)-N,N-diethylhex-3-enamide
PubChem CID6040997
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E)-N,N-diethylhex-3-enamide
SMILESCC/C=C/CC(=O)N(CC)CC
InChIInChI=1S/C10H19NO/c1-4-7-8-9-10(12)11(5-2)6-3/h7-8H,4-6,9H2,1-3H3/b8-7+
InChIKeyCCBCHJHLBWXKJZ-BQYQJAHWSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Pentenamide, N,N-diethyl-
CID 547369
N,N-Dibutylbut-3-enamide
CID 15984652
1-Butyryl-1,2,3,6-tetrahydropyridine
CID 579185
1-(3,6-Dihydropyridin-1(2h)-yl)ethanone
CID 279717
1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 3980505
N,N-Diethylbut-3-enamide
CID 12545744
(E)-N,N-diethyl-5-methyloct-3-enamide
CID 13183973
Pentenoic acid diethylamide
CID 53924574
2,2,2-trifluoro-N-methyl-N-[(E)-6,6,6-trifluorohex-3-enyl]acetamide
CID 145333571
(E)-N-(3-fluoropropyl)-N-[(Z)-hex-3-enyl]but-2-enamide
CID 173699286
(3E)-N,N-Diethyl-3-pentenamide
CID 5369259
N-[(E)-hex-4-enyl]-N-prop-1-ynylpent-4-enamide
CID 11218269

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethylhex-3-enamide?
The IUPAC name of (E)-N,N-diethylhex-3-enamide (CID 6040997) is (E)-N,N-diethylhex-3-enamide.
What is the SMILES notation for (E)-N,N-diethylhex-3-enamide?
The canonical SMILES for (E)-N,N-diethylhex-3-enamide is CC/C=C/CC(=O)N(CC)CC.
What is the InChIKey of (E)-N,N-diethylhex-3-enamide?
The InChIKey is CCBCHJHLBWXKJZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-7-8-9-10(12)11(5-2)6-3/h7-8H,4-6,9H2,1-3H3/b8-7+.
What are the key properties of (E)-N,N-diethylhex-3-enamide?
(E)-N,N-diethylhex-3-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethylhex-3-enamide is sourced from PubChem (CID 6040997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).