(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'}

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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).