(E)-N,N,2-trimethylhex-3-enamide

C9H17NO — CID 5366309

IUPAC(E)-N,N,2-trimethylhex-3-enamide
SMILESCC/C=C/C(C)C(=O)N(C)C
InChIInChI=1S/C9H17NO/c1-5-6-7-8(2)9(11)10(3)4/h6-8H,5H2,1-4H3/b7-6+
InChIKeyQFCYIPIYALIUOZ-VOTSOKGWSA-N
MW155.24 g/mol
LogP1.68
Rot. Bonds3

About (E)-N,N,2-trimethylhex-3-enamide

(E)-N,N,2-trimethylhex-3-enamide (PubChem CID 5366309) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-N,N,2-trimethylhex-3-enamide.

Molecular Properties

Compound Name(E)-N,N,2-trimethylhex-3-enamide
PubChem CID5366309
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-N,N,2-trimethylhex-3-enamide
SMILESCC/C=C/C(C)C(=O)N(C)C
InChIInChI=1S/C9H17NO/c1-5-6-7-8(2)9(11)10(3)4/h6-8H,5H2,1-4H3/b7-6+
InChIKeyQFCYIPIYALIUOZ-VOTSOKGWSA-N
XLogP1.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.68
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,2-trimethylhex-3-enamide?
The IUPAC name of (E)-N,N,2-trimethylhex-3-enamide (CID 5366309) is (E)-N,N,2-trimethylhex-3-enamide.
What is the SMILES notation for (E)-N,N,2-trimethylhex-3-enamide?
The canonical SMILES for (E)-N,N,2-trimethylhex-3-enamide is CC/C=C/C(C)C(=O)N(C)C.
What is the InChIKey of (E)-N,N,2-trimethylhex-3-enamide?
The InChIKey is QFCYIPIYALIUOZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-6-7-8(2)9(11)10(3)4/h6-8H,5H2,1-4H3/b7-6+.
What are the key properties of (E)-N,N,2-trimethylhex-3-enamide?
(E)-N,N,2-trimethylhex-3-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,2-trimethylhex-3-enamide is sourced from PubChem (CID 5366309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).