(E)-2,4,4,6,6-pentamethylhept-2-enamide

C12H23NO — CID 22971889

IUPAC(E)-2,4,4,6,6-pentamethylhept-2-enamide
SMILESC/C(=C\C(C)(C)CC(C)(C)C)C(N)=O
InChIInChI=1S/C12H23NO/c1-9(10(13)14)7-12(5,6)8-11(2,3)4/h7H,8H2,1-6H3,(H2,13,14)/b9-7+
InChIKeyOWTAVGAJJXBBTQ-VQHVLOKHSA-N
MW197.32 g/mol
LogP2.88
Rot. Bonds3

About (E)-2,4,4,6,6-pentamethylhept-2-enamide

(E)-2,4,4,6,6-pentamethylhept-2-enamide (PubChem CID 22971889) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E)-2,4,4,6,6-pentamethylhept-2-enamide.

Molecular Properties

Compound Name(E)-2,4,4,6,6-pentamethylhept-2-enamide
PubChem CID22971889
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E)-2,4,4,6,6-pentamethylhept-2-enamide
SMILESC/C(=C\C(C)(C)CC(C)(C)C)C(N)=O
InChIInChI=1S/C12H23NO/c1-9(10(13)14)7-12(5,6)8-11(2,3)4/h7H,8H2,1-6H3,(H2,13,14)/b9-7+
InChIKeyOWTAVGAJJXBBTQ-VQHVLOKHSA-N
XLogP2.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.88
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)-2,4,4,6,6-pentamethylhept-2-enamide?
The IUPAC name of (E)-2,4,4,6,6-pentamethylhept-2-enamide (CID 22971889) is (E)-2,4,4,6,6-pentamethylhept-2-enamide.
What is the SMILES notation for (E)-2,4,4,6,6-pentamethylhept-2-enamide?
The canonical SMILES for (E)-2,4,4,6,6-pentamethylhept-2-enamide is C/C(=C\C(C)(C)CC(C)(C)C)C(N)=O.
What is the InChIKey of (E)-2,4,4,6,6-pentamethylhept-2-enamide?
The InChIKey is OWTAVGAJJXBBTQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(10(13)14)7-12(5,6)8-11(2,3)4/h7H,8H2,1-6H3,(H2,13,14)/b9-7+.
What are the key properties of (E)-2,4,4,6,6-pentamethylhept-2-enamide?
(E)-2,4,4,6,6-pentamethylhept-2-enamide has a molecular weight of 197.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,4,4,6,6-pentamethylhept-2-enamide is sourced from PubChem (CID 22971889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).