N-hydroxyprop-2-enamide;prop-2-enamide

C6H10N2O3 — CID 174568103

IUPACN-hydroxyprop-2-enamide;prop-2-enamide
SMILESC=CC(=O)NO.C=CC(N)=O
InChIInChI=1S/C3H5NO2.C3H5NO/c1-2-3(5)4-6;1-2-3(4)5/h2,6H,1H2,(H,4,5);2H,1H2,(H2,4,5)
InChIKeyUNOGTUHLNHOWQY-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.66
Rot. Bonds2

About N-hydroxyprop-2-enamide;prop-2-enamide

N-hydroxyprop-2-enamide;prop-2-enamide (PubChem CID 174568103) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is N-hydroxyprop-2-enamide;prop-2-enamide.

Molecular Properties

Compound NameN-hydroxyprop-2-enamide;prop-2-enamide
PubChem CID174568103
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC NameN-hydroxyprop-2-enamide;prop-2-enamide
SMILESC=CC(=O)NO.C=CC(N)=O
InChIInChI=1S/C3H5NO2.C3H5NO/c1-2-3(5)4-6;1-2-3(4)5/h2,6H,1H2,(H,4,5);2H,1H2,(H2,4,5)
InChIKeyUNOGTUHLNHOWQY-UHFFFAOYSA-N
XLogP-0.66
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxyprop-2-enamide;prop-2-enamide?
The IUPAC name of N-hydroxyprop-2-enamide;prop-2-enamide (CID 174568103) is N-hydroxyprop-2-enamide;prop-2-enamide.
What is the SMILES notation for N-hydroxyprop-2-enamide;prop-2-enamide?
The canonical SMILES for N-hydroxyprop-2-enamide;prop-2-enamide is C=CC(=O)NO.C=CC(N)=O.
What is the InChIKey of N-hydroxyprop-2-enamide;prop-2-enamide?
The InChIKey is UNOGTUHLNHOWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2.C3H5NO/c1-2-3(5)4-6;1-2-3(4)5/h2,6H,1H2,(H,4,5);2H,1H2,(H2,4,5).
What are the key properties of N-hydroxyprop-2-enamide;prop-2-enamide?
N-hydroxyprop-2-enamide;prop-2-enamide has a molecular weight of 158.16 g/mol, XLogP of -0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxyprop-2-enamide;prop-2-enamide is sourced from PubChem (CID 174568103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).