(E)-N-ethyl-4-hydroxypent-2-enamide

C7H13NO2 — CID 55300038

IUPAC(E)-N-ethyl-4-hydroxypent-2-enamide
SMILESCCNC(=O)/C=C/C(C)O
InChIInChI=1S/C7H13NO2/c1-3-8-7(10)5-4-6(2)9/h4-6,9H,3H2,1-2H3,(H,8,10)/b5-4+
InChIKeyXRKDNJIXFUBFDT-SNAWJCMRSA-N
MW143.19 g/mol
LogP0.06
Rot. Bonds3

About (E)-N-ethyl-4-hydroxypent-2-enamide

(E)-N-ethyl-4-hydroxypent-2-enamide (PubChem CID 55300038) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (E)-N-ethyl-4-hydroxypent-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-4-hydroxypent-2-enamide
PubChem CID55300038
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(E)-N-ethyl-4-hydroxypent-2-enamide
SMILESCCNC(=O)/C=C/C(C)O
InChIInChI=1S/C7H13NO2/c1-3-8-7(10)5-4-6(2)9/h4-6,9H,3H2,1-2H3,(H,8,10)/b5-4+
InChIKeyXRKDNJIXFUBFDT-SNAWJCMRSA-N
XLogP0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.06
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 (E)-N-ethyl-4-hydroxypent-2-enamide?
The IUPAC name of (E)-N-ethyl-4-hydroxypent-2-enamide (CID 55300038) is (E)-N-ethyl-4-hydroxypent-2-enamide.
What is the SMILES notation for (E)-N-ethyl-4-hydroxypent-2-enamide?
The canonical SMILES for (E)-N-ethyl-4-hydroxypent-2-enamide is CCNC(=O)/C=C/C(C)O.
What is the InChIKey of (E)-N-ethyl-4-hydroxypent-2-enamide?
The InChIKey is XRKDNJIXFUBFDT-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-8-7(10)5-4-6(2)9/h4-6,9H,3H2,1-2H3,(H,8,10)/b5-4+.
What are the key properties of (E)-N-ethyl-4-hydroxypent-2-enamide?
(E)-N-ethyl-4-hydroxypent-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4-hydroxypent-2-enamide is sourced from PubChem (CID 55300038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).