N-ethyl-2,3,3-trihydroxyprop-2-enamide

C5H9NO4 — CID 161274596

IUPACN-ethyl-2,3,3-trihydroxyprop-2-enamide
SMILESCCNC(=O)C(O)=C(O)O
InChIInChI=1S/C5H9NO4/c1-2-6-4(8)3(7)5(9)10/h7,9-10H,2H2,1H3,(H,6,8)
InChIKeyVEGOZORZRZBXGX-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.03
Rot. Bonds2

About N-ethyl-2,3,3-trihydroxyprop-2-enamide

N-ethyl-2,3,3-trihydroxyprop-2-enamide (PubChem CID 161274596) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is N-ethyl-2,3,3-trihydroxyprop-2-enamide.

Molecular Properties

Compound NameN-ethyl-2,3,3-trihydroxyprop-2-enamide
PubChem CID161274596
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC NameN-ethyl-2,3,3-trihydroxyprop-2-enamide
SMILESCCNC(=O)C(O)=C(O)O
InChIInChI=1S/C5H9NO4/c1-2-6-4(8)3(7)5(9)10/h7,9-10H,2H2,1H3,(H,6,8)
InChIKeyVEGOZORZRZBXGX-UHFFFAOYSA-N
XLogP-0.03
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3,3-trihydroxyprop-2-enamide?
The IUPAC name of N-ethyl-2,3,3-trihydroxyprop-2-enamide (CID 161274596) is N-ethyl-2,3,3-trihydroxyprop-2-enamide.
What is the SMILES notation for N-ethyl-2,3,3-trihydroxyprop-2-enamide?
The canonical SMILES for N-ethyl-2,3,3-trihydroxyprop-2-enamide is CCNC(=O)C(O)=C(O)O.
What is the InChIKey of N-ethyl-2,3,3-trihydroxyprop-2-enamide?
The InChIKey is VEGOZORZRZBXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-2-6-4(8)3(7)5(9)10/h7,9-10H,2H2,1H3,(H,6,8).
What are the key properties of N-ethyl-2,3,3-trihydroxyprop-2-enamide?
N-ethyl-2,3,3-trihydroxyprop-2-enamide has a molecular weight of 147.13 g/mol, XLogP of -0.03, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3,3-trihydroxyprop-2-enamide is sourced from PubChem (CID 161274596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).