(E)-N,N-diethyl-2-hydroxy-2-prop-2-enylpent-3-enamide

C12H21NO2 — CID 134988054

IUPAC(E)-N,N-diethyl-2-hydroxy-2-prop-2-enylpent-3-enamide
SMILESC=CCC(O)(/C=C/C)C(=O)N(CC)CC
InChIInChI=1S/C12H21NO2/c1-5-9-12(15,10-6-2)11(14)13(7-3)8-4/h5-6,10,15H,1,7-9H2,2-4H3/b10-6+
InChIKeyJEULVYVWCDYXOK-UXBLZVDNSA-N
MW211.30 g/mol
LogP1.74
Rot. Bonds6

About (E)-N,N-diethyl-2-hydroxy-2-prop-2-enylpent-3-enamide

(E)-N,N-diethyl-2-hydroxy-2-prop-2-enylpent-3-enamide (PubChem CID 134988054) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (E)-N,N-diethyl-2-hydroxy-2-prop-2-enylpent-3-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-2-hydroxy-2-prop-2-enylpent-3-enamide
PubChem CID134988054
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(E)-N,N-diethyl-2-hydroxy-2-prop-2-enylpent-3-enamide
SMILESC=CCC(O)(/C=C/C)C(=O)N(CC)CC
InChIInChI=1S/C12H21NO2/c1-5-9-12(15,10-6-2)11(14)13(7-3)8-4/h5-6,10,15H,1,7-9H2,2-4H3/b10-6+
InChIKeyJEULVYVWCDYXOK-UXBLZVDNSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.74
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-diethyl-2-hydroxy-2-prop-2-enylpent-3-enamide?
The IUPAC name of (E)-N,N-diethyl-2-hydroxy-2-prop-2-enylpent-3-enamide (CID 134988054) is (E)-N,N-diethyl-2-hydroxy-2-prop-2-enylpent-3-enamide.
What is the SMILES notation for (E)-N,N-diethyl-2-hydroxy-2-prop-2-enylpent-3-enamide?
The canonical SMILES for (E)-N,N-diethyl-2-hydroxy-2-prop-2-enylpent-3-enamide is C=CCC(O)(/C=C/C)C(=O)N(CC)CC.
What is the InChIKey of (E)-N,N-diethyl-2-hydroxy-2-prop-2-enylpent-3-enamide?
The InChIKey is JEULVYVWCDYXOK-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-9-12(15,10-6-2)11(14)13(7-3)8-4/h5-6,10,15H,1,7-9H2,2-4H3/b10-6+.
What are the key properties of (E)-N,N-diethyl-2-hydroxy-2-prop-2-enylpent-3-enamide?
(E)-N,N-diethyl-2-hydroxy-2-prop-2-enylpent-3-enamide has a molecular weight of 211.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-2-hydroxy-2-prop-2-enylpent-3-enamide is sourced from PubChem (CID 134988054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).