N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide

C8H12N2O3 — CID 87314754

IUPACN-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCC(O)NC(=O)C=C
InChIInChI=1S/C8H12N2O3/c1-3-6(11)9-5-8(13)10-7(12)4-2/h3-4,8,13H,1-2,5H2,(H,9,11)(H,10,12)
InChIKeyOPRGMQVINPCCKA-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.09
Rot. Bonds5

About N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide

N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide (PubChem CID 87314754) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
PubChem CID87314754
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC NameN-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCC(O)NC(=O)C=C
InChIInChI=1S/C8H12N2O3/c1-3-6(11)9-5-8(13)10-7(12)4-2/h3-4,8,13H,1-2,5H2,(H,9,11)(H,10,12)
InChIKeyOPRGMQVINPCCKA-UHFFFAOYSA-N
XLogP-1.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.09
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-(2,2-dihydroxyethyl)prop-2-enamide
CID 22929468
N-(3-amino-2-hydroxypropyl)prop-2-enamide
CID 130759182
N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide
CID 107151804
N-(2,3,3-trimethylbutyl)prop-2-enamide
CID 83142372
N-[(2S)-1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 129044406
N-(2-aminopropyl)prop-2-enamide
CID 19993421
3-hydroxy-3-(prop-2-enoylamino)propane-1-sulfonic acid
CID 54121753
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-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
CID 173161904
CID 173161904

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide?
The IUPAC name of N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide (CID 87314754) is N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide is C=CC(=O)NCC(O)NC(=O)C=C.
What is the InChIKey of N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide?
The InChIKey is OPRGMQVINPCCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-6(11)9-5-8(13)10-7(12)4-2/h3-4,8,13H,1-2,5H2,(H,9,11)(H,10,12).
What are the key properties of N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide?
N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide has a molecular weight of 184.19 g/mol, XLogP of -1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 87314754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).