(E)-N,N,2-triethyl-2-hydroxy-3-methylpent-3-enamide

C12H23NO2 — CID 11600950

IUPAC(E)-N,N,2-triethyl-2-hydroxy-3-methylpent-3-enamide
SMILESC/C=C(\C)C(O)(CC)C(=O)N(CC)CC
InChIInChI=1S/C12H23NO2/c1-6-10(5)12(15,7-2)11(14)13(8-3)9-4/h6,15H,7-9H2,1-5H3/b10-6+
InChIKeyVMXAJQSUXCNZCE-UXBLZVDNSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds5

About (E)-N,N,2-triethyl-2-hydroxy-3-methylpent-3-enamide

(E)-N,N,2-triethyl-2-hydroxy-3-methylpent-3-enamide (PubChem CID 11600950) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (E)-N,N,2-triethyl-2-hydroxy-3-methylpent-3-enamide.

Molecular Properties

Compound Name(E)-N,N,2-triethyl-2-hydroxy-3-methylpent-3-enamide
PubChem CID11600950
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(E)-N,N,2-triethyl-2-hydroxy-3-methylpent-3-enamide
SMILESC/C=C(\C)C(O)(CC)C(=O)N(CC)CC
InChIInChI=1S/C12H23NO2/c1-6-10(5)12(15,7-2)11(14)13(8-3)9-4/h6,15H,7-9H2,1-5H3/b10-6+
InChIKeyVMXAJQSUXCNZCE-UXBLZVDNSA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-triethyl-2-hydroxy-3-methylpent-3-enamide?
The IUPAC name of (E)-N,N,2-triethyl-2-hydroxy-3-methylpent-3-enamide (CID 11600950) is (E)-N,N,2-triethyl-2-hydroxy-3-methylpent-3-enamide.
What is the SMILES notation for (E)-N,N,2-triethyl-2-hydroxy-3-methylpent-3-enamide?
The canonical SMILES for (E)-N,N,2-triethyl-2-hydroxy-3-methylpent-3-enamide is C/C=C(\C)C(O)(CC)C(=O)N(CC)CC.
What is the InChIKey of (E)-N,N,2-triethyl-2-hydroxy-3-methylpent-3-enamide?
The InChIKey is VMXAJQSUXCNZCE-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-10(5)12(15,7-2)11(14)13(8-3)9-4/h6,15H,7-9H2,1-5H3/b10-6+.
What are the key properties of (E)-N,N,2-triethyl-2-hydroxy-3-methylpent-3-enamide?
(E)-N,N,2-triethyl-2-hydroxy-3-methylpent-3-enamide has a molecular weight of 213.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,2-triethyl-2-hydroxy-3-methylpent-3-enamide is sourced from PubChem (CID 11600950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).