(E)-N,N,5-trimethyl-5-(2-methyloxiran-2-yl)hex-2-enamide

C12H21NO2 — CID 11252824

IUPAC(E)-N,N,5-trimethyl-5-(2-methyloxiran-2-yl)hex-2-enamide
SMILESCN(C)C(=O)/C=C/CC(C)(C)C1(C)CO1
InChIInChI=1S/C12H21NO2/c1-11(2,12(3)9-15-12)8-6-7-10(14)13(4)5/h6-7H,8-9H2,1-5H3/b7-6+
InChIKeyGJOABQOHNBJZGK-VOTSOKGWSA-N
MW211.30 g/mol
LogP1.84
Rot. Bonds4

About (E)-N,N,5-trimethyl-5-(2-methyloxiran-2-yl)hex-2-enamide

(E)-N,N,5-trimethyl-5-(2-methyloxiran-2-yl)hex-2-enamide (PubChem CID 11252824) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (E)-N,N,5-trimethyl-5-(2-methyloxiran-2-yl)hex-2-enamide.

Molecular Properties

Compound Name(E)-N,N,5-trimethyl-5-(2-methyloxiran-2-yl)hex-2-enamide
PubChem CID11252824
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(E)-N,N,5-trimethyl-5-(2-methyloxiran-2-yl)hex-2-enamide
SMILESCN(C)C(=O)/C=C/CC(C)(C)C1(C)CO1
InChIInChI=1S/C12H21NO2/c1-11(2,12(3)9-15-12)8-6-7-10(14)13(4)5/h6-7H,8-9H2,1-5H3/b7-6+
InChIKeyGJOABQOHNBJZGK-VOTSOKGWSA-N
XLogP1.84
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N,N,5-trimethyl-5-(2-methyloxiran-2-yl)hex-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N,N,6,6-tetramethylhept-2-enamide
CID 176757797
(E)-5-(2-butyloxiran-2-yl)-N,N-dimethylpent-2-enamide
CID 102421346
(E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide
CID 134295928
(E)-N,N-dimethylpent-2-enamide;ethane
CID 162375612
5-fluoro-N,N-dimethylpent-2-enamide
CID 141430531
(E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide
CID 44570055
N,N-dimethylpentadec-2-enamide
CID 123899063
2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide
CID 88877368
(E)-N,N-dimethyl-4-(propylamino)but-2-enamide
CID 156709508
(E)-N,N-dimethyl-4-propan-2-ylsulfonylbut-2-enamide
CID 176862470
N,N-dimethyl-7-oxohepta-2,4-dienamide
CID 137379587
(E)-3-acetamido-N,N-dimethylprop-2-enamide
CID 131238300

Frequently Asked Questions

What is the IUPAC name of (E)-N,N,5-trimethyl-5-(2-methyloxiran-2-yl)hex-2-enamide?
The IUPAC name of (E)-N,N,5-trimethyl-5-(2-methyloxiran-2-yl)hex-2-enamide (CID 11252824) is (E)-N,N,5-trimethyl-5-(2-methyloxiran-2-yl)hex-2-enamide.
What is the SMILES notation for (E)-N,N,5-trimethyl-5-(2-methyloxiran-2-yl)hex-2-enamide?
The canonical SMILES for (E)-N,N,5-trimethyl-5-(2-methyloxiran-2-yl)hex-2-enamide is CN(C)C(=O)/C=C/CC(C)(C)C1(C)CO1.
What is the InChIKey of (E)-N,N,5-trimethyl-5-(2-methyloxiran-2-yl)hex-2-enamide?
The InChIKey is GJOABQOHNBJZGK-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H21NO2/c1-11(2,12(3)9-15-12)8-6-7-10(14)13(4)5/h6-7H,8-9H2,1-5H3/b7-6+.
What are the key properties of (E)-N,N,5-trimethyl-5-(2-methyloxiran-2-yl)hex-2-enamide?
(E)-N,N,5-trimethyl-5-(2-methyloxiran-2-yl)hex-2-enamide has a molecular weight of 211.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,5-trimethyl-5-(2-methyloxiran-2-yl)hex-2-enamide is sourced from PubChem (CID 11252824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).