N-(2-hydroxyiminoethyl)-2-methylprop-2-enamide

C6H10N2O2 — CID 88625117

IUPACN-(2-hydroxyiminoethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC=NO
InChIInChI=1S/C6H10N2O2/c1-5(2)6(9)7-3-4-8-10/h4,10H,1,3H2,2H3,(H,7,9)
InChIKeyZJJQVBSSQNHKFT-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.14
Rot. Bonds3

About N-(2-hydroxyiminoethyl)-2-methylprop-2-enamide

N-(2-hydroxyiminoethyl)-2-methylprop-2-enamide (PubChem CID 88625117) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N-(2-hydroxyiminoethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxyiminoethyl)-2-methylprop-2-enamide
PubChem CID88625117
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN-(2-hydroxyiminoethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC=NO
InChIInChI=1S/C6H10N2O2/c1-5(2)6(9)7-3-4-8-10/h4,10H,1,3H2,2H3,(H,7,9)
InChIKeyZJJQVBSSQNHKFT-UHFFFAOYSA-N
XLogP0.14
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-iminopropyl)-2-methylprop-2-enamide
CID 54164226
N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide
CID 88746597
N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide
CID 88746677
N-(2-carbamoyliminoethyl)-2-methylprop-2-enamide
CID 139747578
N-(3-carbamoyliminopropyl)-2-methylprop-2-enamide
CID 139747579
N-[2-(ethylidenecarbamoylimino)ethyl]-2-methylprop-2-enamide
CID 152240268
N-ethyl-2-methylprop-2-enamide;imidazol-2-one
CID 161410420
N-(2-butyliminoethyl)-2-methylprop-2-enamide
CID 169722371
N-ethyl-2-methylprop-2-enamide;isocyanic acid
CID 172770083
N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide
CID 88746598
N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide
CID 88746678
(2E)-2-methoxyimino-N-(2-methylprop-2-enyl)acetamide
CID 133680920

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyiminoethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2-hydroxyiminoethyl)-2-methylprop-2-enamide (CID 88625117) is N-(2-hydroxyiminoethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-hydroxyiminoethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2-hydroxyiminoethyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCC=NO.
What is the InChIKey of N-(2-hydroxyiminoethyl)-2-methylprop-2-enamide?
The InChIKey is ZJJQVBSSQNHKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-5(2)6(9)7-3-4-8-10/h4,10H,1,3H2,2H3,(H,7,9).
What are the key properties of N-(2-hydroxyiminoethyl)-2-methylprop-2-enamide?
N-(2-hydroxyiminoethyl)-2-methylprop-2-enamide has a molecular weight of 142.16 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyiminoethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 88625117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).