N-oxo-2-(prop-2-enoxymethyl)prop-2-enamide

C7H9NO3 — CID 163423904

IUPACN-oxo-2-(prop-2-enoxymethyl)prop-2-enamide
SMILESC=CCOCC(=C)C(=O)N=O
InChIInChI=1S/C7H9NO3/c1-3-4-11-5-6(2)7(9)8-10/h3H,1-2,4-5H2
InChIKeyAKVOHKAHMURORE-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.04
Rot. Bonds5

About N-oxo-2-(prop-2-enoxymethyl)prop-2-enamide

N-oxo-2-(prop-2-enoxymethyl)prop-2-enamide (PubChem CID 163423904) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is N-oxo-2-(prop-2-enoxymethyl)prop-2-enamide.

Molecular Properties

Compound NameN-oxo-2-(prop-2-enoxymethyl)prop-2-enamide
PubChem CID163423904
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC NameN-oxo-2-(prop-2-enoxymethyl)prop-2-enamide
SMILESC=CCOCC(=C)C(=O)N=O
InChIInChI=1S/C7H9NO3/c1-3-4-11-5-6(2)7(9)8-10/h3H,1-2,4-5H2
InChIKeyAKVOHKAHMURORE-UHFFFAOYSA-N
XLogP1.04
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

nitrous acid;2-(prop-2-enoxymethyl)prop-2-enoic acid
CID 174681541
2-prop-2-enoxyacetate
CID 19028340
2-(prop-2-enoxymethyl)buta-1,3-diene
CID 13347168
2-chloro-3-prop-2-enoxyprop-1-ene
CID 13215592
2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 155660539
8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 165388739
dodecyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 87095136
pentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 134229849
3-prop-2-enoxyprop-1-ene-2-sulfinic acid
CID 143086703
2-(prop-2-enoxymethyl)prop-2-en-1-ol
CID 130130392
oxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 66662121
1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 134229847

Frequently Asked Questions

What is the IUPAC name of N-oxo-2-(prop-2-enoxymethyl)prop-2-enamide?
The IUPAC name of N-oxo-2-(prop-2-enoxymethyl)prop-2-enamide (CID 163423904) is N-oxo-2-(prop-2-enoxymethyl)prop-2-enamide.
What is the SMILES notation for N-oxo-2-(prop-2-enoxymethyl)prop-2-enamide?
The canonical SMILES for N-oxo-2-(prop-2-enoxymethyl)prop-2-enamide is C=CCOCC(=C)C(=O)N=O.
What is the InChIKey of N-oxo-2-(prop-2-enoxymethyl)prop-2-enamide?
The InChIKey is AKVOHKAHMURORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-3-4-11-5-6(2)7(9)8-10/h3H,1-2,4-5H2.
What are the key properties of N-oxo-2-(prop-2-enoxymethyl)prop-2-enamide?
N-oxo-2-(prop-2-enoxymethyl)prop-2-enamide has a molecular weight of 155.15 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxo-2-(prop-2-enoxymethyl)prop-2-enamide is sourced from PubChem (CID 163423904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).