(E)-2,4,4-trimethylhex-2-enamide

C9H17NO — CID 18406262

IUPAC(E)-2,4,4-trimethylhex-2-enamide
SMILESCCC(C)(C)/C=C(\C)C(N)=O
InChIInChI=1S/C9H17NO/c1-5-9(3,4)6-7(2)8(10)11/h6H,5H2,1-4H3,(H2,10,11)/b7-6+
InChIKeyNCBKPGQPPVUZTA-VOTSOKGWSA-N
MW155.24 g/mol
LogP1.85
Rot. Bonds3

About (E)-2,4,4-trimethylhex-2-enamide

(E)-2,4,4-trimethylhex-2-enamide (PubChem CID 18406262) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-2,4,4-trimethylhex-2-enamide.

Molecular Properties

Compound Name(E)-2,4,4-trimethylhex-2-enamide
PubChem CID18406262
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-2,4,4-trimethylhex-2-enamide
SMILESCCC(C)(C)/C=C(\C)C(N)=O
InChIInChI=1S/C9H17NO/c1-5-9(3,4)6-7(2)8(10)11/h6H,5H2,1-4H3,(H2,10,11)/b7-6+
InChIKeyNCBKPGQPPVUZTA-VOTSOKGWSA-N
XLogP1.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
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)-2,4,4-trimethylhex-2-enamide?
The IUPAC name of (E)-2,4,4-trimethylhex-2-enamide (CID 18406262) is (E)-2,4,4-trimethylhex-2-enamide.
What is the SMILES notation for (E)-2,4,4-trimethylhex-2-enamide?
The canonical SMILES for (E)-2,4,4-trimethylhex-2-enamide is CCC(C)(C)/C=C(\C)C(N)=O.
What is the InChIKey of (E)-2,4,4-trimethylhex-2-enamide?
The InChIKey is NCBKPGQPPVUZTA-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-9(3,4)6-7(2)8(10)11/h6H,5H2,1-4H3,(H2,10,11)/b7-6+.
What are the key properties of (E)-2,4,4-trimethylhex-2-enamide?
(E)-2,4,4-trimethylhex-2-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,4,4-trimethylhex-2-enamide is sourced from PubChem (CID 18406262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).