N,N-diethyl-2-hydroxyprop-2-enamide

C7H13NO2 — CID 87285418

IUPACN,N-diethyl-2-hydroxyprop-2-enamide
SMILESC=C(O)C(=O)N(CC)CC
InChIInChI=1S/C7H13NO2/c1-4-8(5-2)7(10)6(3)9/h9H,3-5H2,1-2H3
InChIKeyKYCPDGXKYZUNCP-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.93
Rot. Bonds3

About N,N-diethyl-2-hydroxyprop-2-enamide

N,N-diethyl-2-hydroxyprop-2-enamide (PubChem CID 87285418) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N,N-diethyl-2-hydroxyprop-2-enamide.

Molecular Properties

Compound NameN,N-diethyl-2-hydroxyprop-2-enamide
PubChem CID87285418
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN,N-diethyl-2-hydroxyprop-2-enamide
SMILESC=C(O)C(=O)N(CC)CC
InChIInChI=1S/C7H13NO2/c1-4-8(5-2)7(10)6(3)9/h9H,3-5H2,1-2H3
InChIKeyKYCPDGXKYZUNCP-UHFFFAOYSA-N
XLogP0.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-hydroxyprop-2-enamide?
The IUPAC name of N,N-diethyl-2-hydroxyprop-2-enamide (CID 87285418) is N,N-diethyl-2-hydroxyprop-2-enamide.
What is the SMILES notation for N,N-diethyl-2-hydroxyprop-2-enamide?
The canonical SMILES for N,N-diethyl-2-hydroxyprop-2-enamide is C=C(O)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-hydroxyprop-2-enamide?
The InChIKey is KYCPDGXKYZUNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-8(5-2)7(10)6(3)9/h9H,3-5H2,1-2H3.
What are the key properties of N,N-diethyl-2-hydroxyprop-2-enamide?
N,N-diethyl-2-hydroxyprop-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-hydroxyprop-2-enamide is sourced from PubChem (CID 87285418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).