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

C11H21NO — CID 14226602

IUPAC(E)-N,N-diethylhept-3-enamide
SMILESCCC/C=C/CC(=O)N(CC)CC
InChIInChI=1S/C11H21NO/c1-4-7-8-9-10-11(13)12(5-2)6-3/h8-9H,4-7,10H2,1-3H3/b9-8+
InChIKeyXLFZDVUBYUXAGZ-CMDGGOBGSA-N
MW183.29 g/mol
LogP2.60
Rot. Bonds6

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

(E)-N,N-diethylhept-3-enamide (PubChem CID 14226602) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (E)-N,N-diethylhept-3-enamide.

Molecular Properties

Compound Name(E)-N,N-diethylhept-3-enamide
PubChem CID14226602
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(E)-N,N-diethylhept-3-enamide
SMILESCCC/C=C/CC(=O)N(CC)CC
InChIInChI=1S/C11H21NO/c1-4-7-8-9-10-11(13)12(5-2)6-3/h8-9H,4-7,10H2,1-3H3/b9-8+
InChIKeyXLFZDVUBYUXAGZ-CMDGGOBGSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethylhept-3-enamide?
The IUPAC name of (E)-N,N-diethylhept-3-enamide (CID 14226602) is (E)-N,N-diethylhept-3-enamide.
What is the SMILES notation for (E)-N,N-diethylhept-3-enamide?
The canonical SMILES for (E)-N,N-diethylhept-3-enamide is CCC/C=C/CC(=O)N(CC)CC.
What is the InChIKey of (E)-N,N-diethylhept-3-enamide?
The InChIKey is XLFZDVUBYUXAGZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-7-8-9-10-11(13)12(5-2)6-3/h8-9H,4-7,10H2,1-3H3/b9-8+.
What are the key properties of (E)-N,N-diethylhept-3-enamide?
(E)-N,N-diethylhept-3-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethylhept-3-enamide is sourced from PubChem (CID 14226602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).