N-but-2-enyl-2,3-dihydroxypropanamide;hydrate

C7H15NO4 — CID 141324143

IUPACN-but-2-enyl-2,3-dihydroxypropanamide;hydrate
SMILESCC=CCNC(=O)C(O)CO.O
InChIInChI=1S/C7H13NO3.H2O/c1-2-3-4-8-7(11)6(10)5-9;/h2-3,6,9-10H,4-5H2,1H3,(H,8,11);1H2
InChIKeyIEDWUVBDQOHLMS-UHFFFAOYSA-N
MW177.20 g/mol
LogP-1.79
Rot. Bonds4

About N-but-2-enyl-2,3-dihydroxypropanamide;hydrate

N-but-2-enyl-2,3-dihydroxypropanamide;hydrate (PubChem CID 141324143) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-but-2-enyl-2,3-dihydroxypropanamide;hydrate.

Molecular Properties

Compound NameN-but-2-enyl-2,3-dihydroxypropanamide;hydrate
PubChem CID141324143
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC NameN-but-2-enyl-2,3-dihydroxypropanamide;hydrate
SMILESCC=CCNC(=O)C(O)CO.O
InChIInChI=1S/C7H13NO3.H2O/c1-2-3-4-8-7(11)6(10)5-9;/h2-3,6,9-10H,4-5H2,1H3,(H,8,11);1H2
InChIKeyIEDWUVBDQOHLMS-UHFFFAOYSA-N
XLogP-1.79
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-but-2-enyl-2,3-dihydroxypropanamide;hydrate?
The IUPAC name of N-but-2-enyl-2,3-dihydroxypropanamide;hydrate (CID 141324143) is N-but-2-enyl-2,3-dihydroxypropanamide;hydrate.
What is the SMILES notation for N-but-2-enyl-2,3-dihydroxypropanamide;hydrate?
The canonical SMILES for N-but-2-enyl-2,3-dihydroxypropanamide;hydrate is CC=CCNC(=O)C(O)CO.O.
What is the InChIKey of N-but-2-enyl-2,3-dihydroxypropanamide;hydrate?
The InChIKey is IEDWUVBDQOHLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.H2O/c1-2-3-4-8-7(11)6(10)5-9;/h2-3,6,9-10H,4-5H2,1H3,(H,8,11);1H2.
What are the key properties of N-but-2-enyl-2,3-dihydroxypropanamide;hydrate?
N-but-2-enyl-2,3-dihydroxypropanamide;hydrate has a molecular weight of 177.20 g/mol, XLogP of -1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enyl-2,3-dihydroxypropanamide;hydrate is sourced from PubChem (CID 141324143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).