N-ethyl-5-hydroxy-2-methylpent-2-enamide

C8H15NO2 — CID 141265834

IUPACN-ethyl-5-hydroxy-2-methylpent-2-enamide
SMILESCCNC(=O)C(C)=CCCO
InChIInChI=1S/C8H15NO2/c1-3-9-8(11)7(2)5-4-6-10/h5,10H,3-4,6H2,1-2H3,(H,9,11)
InChIKeyHGSGIEBBOKSXEB-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.45
Rot. Bonds4

About N-ethyl-5-hydroxy-2-methylpent-2-enamide

N-ethyl-5-hydroxy-2-methylpent-2-enamide (PubChem CID 141265834) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-ethyl-5-hydroxy-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-ethyl-5-hydroxy-2-methylpent-2-enamide
PubChem CID141265834
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-ethyl-5-hydroxy-2-methylpent-2-enamide
SMILESCCNC(=O)C(C)=CCCO
InChIInChI=1S/C8H15NO2/c1-3-9-8(11)7(2)5-4-6-10/h5,10H,3-4,6H2,1-2H3,(H,9,11)
InChIKeyHGSGIEBBOKSXEB-UHFFFAOYSA-N
XLogP0.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-hydroxy-2-methylpent-2-enamide?
The IUPAC name of N-ethyl-5-hydroxy-2-methylpent-2-enamide (CID 141265834) is N-ethyl-5-hydroxy-2-methylpent-2-enamide.
What is the SMILES notation for N-ethyl-5-hydroxy-2-methylpent-2-enamide?
The canonical SMILES for N-ethyl-5-hydroxy-2-methylpent-2-enamide is CCNC(=O)C(C)=CCCO.
What is the InChIKey of N-ethyl-5-hydroxy-2-methylpent-2-enamide?
The InChIKey is HGSGIEBBOKSXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-9-8(11)7(2)5-4-6-10/h5,10H,3-4,6H2,1-2H3,(H,9,11).
What are the key properties of N-ethyl-5-hydroxy-2-methylpent-2-enamide?
N-ethyl-5-hydroxy-2-methylpent-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-hydroxy-2-methylpent-2-enamide is sourced from PubChem (CID 141265834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).