N-(2,2-dihydroxyethyl)prop-2-enamide

C5H9NO3 — CID 22929468

IUPACN-(2,2-dihydroxyethyl)prop-2-enamide
SMILESC=CC(=O)NCC(O)O
InChIInChI=1S/C5H9NO3/c1-2-4(7)6-3-5(8)9/h2,5,8-9H,1,3H2,(H,6,7)
InChIKeyTZEKUJKAULMISU-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.40
Rot. Bonds3

About N-(2,2-dihydroxyethyl)prop-2-enamide

N-(2,2-dihydroxyethyl)prop-2-enamide (PubChem CID 22929468) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is N-(2,2-dihydroxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,2-dihydroxyethyl)prop-2-enamide
PubChem CID22929468
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC NameN-(2,2-dihydroxyethyl)prop-2-enamide
SMILESC=CC(=O)NCC(O)O
InChIInChI=1S/C5H9NO3/c1-2-4(7)6-3-5(8)9/h2,5,8-9H,1,3H2,(H,6,7)
InChIKeyTZEKUJKAULMISU-UHFFFAOYSA-N
XLogP-1.40
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87314754
N-(3-amino-2-hydroxypropyl)prop-2-enamide
CID 130759182
N-(2-aminopropyl)prop-2-enamide
CID 19993421
N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide
CID 107151804
N-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
CID 88530636
N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
CID 129044196
formic acid;N-(2-methylpropyl)prop-2-enamide
CID 174936612
N-(2,3,3-trimethylbutyl)prop-2-enamide
CID 83142372
CID 173161904
CID 173161904
N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide
CID 104593753
N-[2-amino-2-(ethylamino)ethyl]prop-2-enamide
CID 138461440
ethene;N-(hydroxymethyl)prop-2-enamide
CID 88605914

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dihydroxyethyl)prop-2-enamide?
The IUPAC name of N-(2,2-dihydroxyethyl)prop-2-enamide (CID 22929468) is N-(2,2-dihydroxyethyl)prop-2-enamide.
What is the SMILES notation for N-(2,2-dihydroxyethyl)prop-2-enamide?
The canonical SMILES for N-(2,2-dihydroxyethyl)prop-2-enamide is C=CC(=O)NCC(O)O.
What is the InChIKey of N-(2,2-dihydroxyethyl)prop-2-enamide?
The InChIKey is TZEKUJKAULMISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-2-4(7)6-3-5(8)9/h2,5,8-9H,1,3H2,(H,6,7).
What are the key properties of N-(2,2-dihydroxyethyl)prop-2-enamide?
N-(2,2-dihydroxyethyl)prop-2-enamide has a molecular weight of 131.13 g/mol, XLogP of -1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dihydroxyethyl)prop-2-enamide is sourced from PubChem (CID 22929468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).