(E)-5-(2-butyloxiran-2-yl)-N,N-dimethylpent-2-enamide

C13H23NO2 — CID 102421346

IUPAC(E)-5-(2-butyloxiran-2-yl)-N,N-dimethylpent-2-enamide
SMILESCCCCC1(CC/C=C/C(=O)N(C)C)CO1
InChIInChI=1S/C13H23NO2/c1-4-5-9-13(11-16-13)10-7-6-8-12(15)14(2)3/h6,8H,4-5,7,9-11H2,1-3H3/b8-6+
InChIKeyJGZFFCVUVAFNRN-SOFGYWHQSA-N
MW225.33 g/mol
LogP2.37
Rot. Bonds7

About (E)-5-(2-butyloxiran-2-yl)-N,N-dimethylpent-2-enamide

(E)-5-(2-butyloxiran-2-yl)-N,N-dimethylpent-2-enamide (PubChem CID 102421346) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (E)-5-(2-butyloxiran-2-yl)-N,N-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-5-(2-butyloxiran-2-yl)-N,N-dimethylpent-2-enamide
PubChem CID102421346
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(E)-5-(2-butyloxiran-2-yl)-N,N-dimethylpent-2-enamide
SMILESCCCCC1(CC/C=C/C(=O)N(C)C)CO1
InChIInChI=1S/C13H23NO2/c1-4-5-9-13(11-16-13)10-7-6-8-12(15)14(2)3/h6,8H,4-5,7,9-11H2,1-3H3/b8-6+
InChIKeyJGZFFCVUVAFNRN-SOFGYWHQSA-N
XLogP2.37
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.37
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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Related Compounds

N,N-dimethylpentadec-2-enamide
CID 123899063
3-(2-butyloxiran-2-yl)propanal
CID 85307861
N,N-dimethyldeca-2,4-dienamide
CID 123964212
2,2-dibutyl-5,5-dipropyl-1,4-dioxane
CID 151505286
N,N-bis[(2-methyloxiran-2-yl)methyl]nonadec-2-enamide
CID 88736763
4-(2-butyloxiran-2-yl)-2-methylidenebutanoic acid
CID 88548094
2,2-dibutyl-5,5-diethyl-1,4-dioxane
CID 151443761
2-hexadecyl-2-tetradecyloxirane
CID 71421731
(E)-N,N,5-trimethyl-5-(2-methyloxiran-2-yl)hex-2-enamide
CID 11252824
5-fluoro-N,N-dimethylpent-2-enamide
CID 141430531
methyl 16-(2-ethyloxiran-2-yl)hexadec-2-enoate
CID 90979814
(E)-N,N-dimethylpent-2-enamide;ethane
CID 162375612

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-butyloxiran-2-yl)-N,N-dimethylpent-2-enamide?
The IUPAC name of (E)-5-(2-butyloxiran-2-yl)-N,N-dimethylpent-2-enamide (CID 102421346) is (E)-5-(2-butyloxiran-2-yl)-N,N-dimethylpent-2-enamide.
What is the SMILES notation for (E)-5-(2-butyloxiran-2-yl)-N,N-dimethylpent-2-enamide?
The canonical SMILES for (E)-5-(2-butyloxiran-2-yl)-N,N-dimethylpent-2-enamide is CCCCC1(CC/C=C/C(=O)N(C)C)CO1.
What is the InChIKey of (E)-5-(2-butyloxiran-2-yl)-N,N-dimethylpent-2-enamide?
The InChIKey is JGZFFCVUVAFNRN-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-5-9-13(11-16-13)10-7-6-8-12(15)14(2)3/h6,8H,4-5,7,9-11H2,1-3H3/b8-6+.
What are the key properties of (E)-5-(2-butyloxiran-2-yl)-N,N-dimethylpent-2-enamide?
(E)-5-(2-butyloxiran-2-yl)-N,N-dimethylpent-2-enamide has a molecular weight of 225.33 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-butyloxiran-2-yl)-N,N-dimethylpent-2-enamide is sourced from PubChem (CID 102421346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).