(E)-N,N-diethyl-4-methylpent-2-enamide

C10H19NO — CID 21135745

IUPAC(E)-N,N-diethyl-4-methylpent-2-enamide
SMILESCCN(CC)C(=O)/C=C/C(C)C
InChIInChI=1S/C10H19NO/c1-5-11(6-2)10(12)8-7-9(3)4/h7-9H,5-6H2,1-4H3/b8-7+
InChIKeyUEFMJVZXSRJQQU-BQYQJAHWSA-N
MW169.27 g/mol
LogP2.07
Rot. Bonds4

About (E)-N,N-diethyl-4-methylpent-2-enamide

(E)-N,N-diethyl-4-methylpent-2-enamide (PubChem CID 21135745) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-N,N-diethyl-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-4-methylpent-2-enamide
PubChem CID21135745
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E)-N,N-diethyl-4-methylpent-2-enamide
SMILESCCN(CC)C(=O)/C=C/C(C)C
InChIInChI=1S/C10H19NO/c1-5-11(6-2)10(12)8-7-9(3)4/h7-9H,5-6H2,1-4H3/b8-7+
InChIKeyUEFMJVZXSRJQQU-BQYQJAHWSA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-4-methylpent-2-enamide?
The IUPAC name of (E)-N,N-diethyl-4-methylpent-2-enamide (CID 21135745) is (E)-N,N-diethyl-4-methylpent-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-4-methylpent-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-4-methylpent-2-enamide is CCN(CC)C(=O)/C=C/C(C)C.
What is the InChIKey of (E)-N,N-diethyl-4-methylpent-2-enamide?
The InChIKey is UEFMJVZXSRJQQU-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-11(6-2)10(12)8-7-9(3)4/h7-9H,5-6H2,1-4H3/b8-7+.
What are the key properties of (E)-N,N-diethyl-4-methylpent-2-enamide?
(E)-N,N-diethyl-4-methylpent-2-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-4-methylpent-2-enamide is sourced from PubChem (CID 21135745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).