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

C9H17NO — CID 5369259

IUPAC(E)-N,N-diethylpent-3-enamide
SMILESC/C=C/CC(=O)N(CC)CC
InChIInChI=1S/C9H17NO/c1-4-7-8-9(11)10(5-2)6-3/h4,7H,5-6,8H2,1-3H3/b7-4+
InChIKeyNFQJBRFKIQZUAT-QPJJXVBHSA-N
MW155.24 g/mol
LogP1.82
Rot. Bonds4

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

(E)-N,N-diethylpent-3-enamide (PubChem CID 5369259) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-N,N-diethylpent-3-enamide.

Molecular Properties

Compound Name(E)-N,N-diethylpent-3-enamide
PubChem CID5369259
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-N,N-diethylpent-3-enamide
SMILESC/C=C/CC(=O)N(CC)CC
InChIInChI=1S/C9H17NO/c1-4-7-8-9(11)10(5-2)6-3/h4,7H,5-6,8H2,1-3H3/b7-4+
InChIKeyNFQJBRFKIQZUAT-QPJJXVBHSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.82
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-diethylpent-3-enamide?
The IUPAC name of (E)-N,N-diethylpent-3-enamide (CID 5369259) is (E)-N,N-diethylpent-3-enamide.
What is the SMILES notation for (E)-N,N-diethylpent-3-enamide?
The canonical SMILES for (E)-N,N-diethylpent-3-enamide is C/C=C/CC(=O)N(CC)CC.
What is the InChIKey of (E)-N,N-diethylpent-3-enamide?
The InChIKey is NFQJBRFKIQZUAT-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-7-8-9(11)10(5-2)6-3/h4,7H,5-6,8H2,1-3H3/b7-4+.
What are the key properties of (E)-N,N-diethylpent-3-enamide?
(E)-N,N-diethylpent-3-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethylpent-3-enamide is sourced from PubChem (CID 5369259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).