ethane;N-(2-oxopropoxy)prop-2-enamide

C10H21NO3 — CID 144683227

IUPACethane;N-(2-oxopropoxy)prop-2-enamide
SMILESC=CC(=O)NOCC(C)=O.CC.CC
InChIInChI=1S/C6H9NO3.2C2H6/c1-3-6(9)7-10-4-5(2)8;2*1-2/h3H,1,4H2,2H3,(H,7,9);2*1-2H3
InChIKeyMRWUSZYZWVFMLW-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.86
Rot. Bonds4

About ethane;N-(2-oxopropoxy)prop-2-enamide

ethane;N-(2-oxopropoxy)prop-2-enamide (PubChem CID 144683227) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is ethane;N-(2-oxopropoxy)prop-2-enamide.

Molecular Properties

Compound Nameethane;N-(2-oxopropoxy)prop-2-enamide
PubChem CID144683227
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nameethane;N-(2-oxopropoxy)prop-2-enamide
SMILESC=CC(=O)NOCC(C)=O.CC.CC
InChIInChI=1S/C6H9NO3.2C2H6/c1-3-6(9)7-10-4-5(2)8;2*1-2/h3H,1,4H2,2H3,(H,7,9);2*1-2H3
InChIKeyMRWUSZYZWVFMLW-UHFFFAOYSA-N
XLogP1.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pentoxyprop-2-enamide
CID 174822996
2-oxopropyl 4-methyl-2-(prop-2-enoylamino)pentanoate
CID 88894718
N-(2-oxopropoxy)formamide
CID 174709773
2-methyl-N-(prop-2-enoylamino)oxyprop-2-enamide
CID 143303309
1-(2-methylprop-1-enylamino)oxypropan-2-one
CID 123256071
N-[2-(methylsulfonylsulfamoyl)ethoxy]prop-2-enamide
CID 170197710
2-oxopropyl 2-(buta-1,3-dien-2-ylamino)acetate
CID 89044140
1-ethenoxypentane-2,4-dione
CID 71416882
2-penta-1,3-dien-3-yloxyacetic acid
CID 91026141
2,3-dioxopent-4-enyl 3-oxobutanoate
CID 54042032
acetamide;prop-2-enamide
CID 158566181
(prop-2-enoylamino) 3-methylbutane-1-sulfonate
CID 174766203

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-oxopropoxy)prop-2-enamide?
The IUPAC name of ethane;N-(2-oxopropoxy)prop-2-enamide (CID 144683227) is ethane;N-(2-oxopropoxy)prop-2-enamide.
What is the SMILES notation for ethane;N-(2-oxopropoxy)prop-2-enamide?
The canonical SMILES for ethane;N-(2-oxopropoxy)prop-2-enamide is C=CC(=O)NOCC(C)=O.CC.CC.
What is the InChIKey of ethane;N-(2-oxopropoxy)prop-2-enamide?
The InChIKey is MRWUSZYZWVFMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3.2C2H6/c1-3-6(9)7-10-4-5(2)8;2*1-2/h3H,1,4H2,2H3,(H,7,9);2*1-2H3.
What are the key properties of ethane;N-(2-oxopropoxy)prop-2-enamide?
ethane;N-(2-oxopropoxy)prop-2-enamide has a molecular weight of 203.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-oxopropoxy)prop-2-enamide is sourced from PubChem (CID 144683227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).