N-[hydroxy-[hydroxy-(prop-2-enoylamino)methoxy]methyl]prop-2-enamide

C8H12N2O5 — CID 57140521

IUPACN-[hydroxy-[hydroxy-(prop-2-enoylamino)methoxy]methyl]prop-2-enamide
SMILESC=CC(=O)NC(O)OC(O)NC(=O)C=C
InChIInChI=1S/C8H12N2O5/c1-3-5(11)9-7(13)15-8(14)10-6(12)4-2/h3-4,7-8,13-14H,1-2H2,(H,9,11)(H,10,12)
InChIKeyBZXOBAIXQBMIKO-UHFFFAOYSA-N
MW216.19 g/mol
LogP-1.84
Rot. Bonds6

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

N-[hydroxy-[hydroxy-(prop-2-enoylamino)methoxy]methyl]prop-2-enamide (PubChem CID 57140521) has the molecular formula C8H12N2O5 and a molecular weight of 216.19 g/mol. Its IUPAC name is N-[hydroxy-[hydroxy-(prop-2-enoylamino)methoxy]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[hydroxy-[hydroxy-(prop-2-enoylamino)methoxy]methyl]prop-2-enamide
PubChem CID57140521
Molecular FormulaC8H12N2O5
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC NameN-[hydroxy-[hydroxy-(prop-2-enoylamino)methoxy]methyl]prop-2-enamide
SMILESC=CC(=O)NC(O)OC(O)NC(=O)C=C
InChIInChI=1S/C8H12N2O5/c1-3-5(11)9-7(13)15-8(14)10-6(12)4-2/h3-4,7-8,13-14H,1-2H2,(H,9,11)(H,10,12)
InChIKeyBZXOBAIXQBMIKO-UHFFFAOYSA-N
XLogP-1.84
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[hydroxy-[hydroxy-(prop-2-enoylamino)methoxy]methyl]prop-2-enamide?
The IUPAC name of N-[hydroxy-[hydroxy-(prop-2-enoylamino)methoxy]methyl]prop-2-enamide (CID 57140521) is N-[hydroxy-[hydroxy-(prop-2-enoylamino)methoxy]methyl]prop-2-enamide.
What is the SMILES notation for N-[hydroxy-[hydroxy-(prop-2-enoylamino)methoxy]methyl]prop-2-enamide?
The canonical SMILES for N-[hydroxy-[hydroxy-(prop-2-enoylamino)methoxy]methyl]prop-2-enamide is C=CC(=O)NC(O)OC(O)NC(=O)C=C.
What is the InChIKey of N-[hydroxy-[hydroxy-(prop-2-enoylamino)methoxy]methyl]prop-2-enamide?
The InChIKey is BZXOBAIXQBMIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5/c1-3-5(11)9-7(13)15-8(14)10-6(12)4-2/h3-4,7-8,13-14H,1-2H2,(H,9,11)(H,10,12).
What are the key properties of N-[hydroxy-[hydroxy-(prop-2-enoylamino)methoxy]methyl]prop-2-enamide?
N-[hydroxy-[hydroxy-(prop-2-enoylamino)methoxy]methyl]prop-2-enamide has a molecular weight of 216.19 g/mol, XLogP of -1.84, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy-[hydroxy-(prop-2-enoylamino)methoxy]methyl]prop-2-enamide is sourced from PubChem (CID 57140521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).