1,1-dimethoxyethane;N-(2-oxoethyl)prop-2-enamide

C9H17NO4 — CID 87223904

IUPAC1,1-dimethoxyethane;N-(2-oxoethyl)prop-2-enamide
SMILESC=CC(=O)NCC=O.COC(C)OC
InChIInChI=1S/C5H7NO2.C4H10O2/c1-2-5(8)6-3-4-7;1-4(5-2)6-3/h2,4H,1,3H2,(H,6,8);4H,1-3H3
InChIKeyFSXJZPRAFWZIIH-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.11
Rot. Bonds5

About 1,1-dimethoxyethane;N-(2-oxoethyl)prop-2-enamide

1,1-dimethoxyethane;N-(2-oxoethyl)prop-2-enamide (PubChem CID 87223904) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1,1-dimethoxyethane;N-(2-oxoethyl)prop-2-enamide.

Molecular Properties

Compound Name1,1-dimethoxyethane;N-(2-oxoethyl)prop-2-enamide
PubChem CID87223904
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name1,1-dimethoxyethane;N-(2-oxoethyl)prop-2-enamide
SMILESC=CC(=O)NCC=O.COC(C)OC
InChIInChI=1S/C5H7NO2.C4H10O2/c1-2-5(8)6-3-4-7;1-4(5-2)6-3/h2,4H,1,3H2,(H,6,8);4H,1-3H3
InChIKeyFSXJZPRAFWZIIH-UHFFFAOYSA-N
XLogP0.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
CID 129044196
ethane;N-prop-2-enylprop-2-enamide
CID 142535548
1,1-dimethoxyethane;phenyl N-(2-oxoethyl)carbamate
CID 87640415
formic acid;N-(2-methylpropyl)prop-2-enamide
CID 174936612
N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide
CID 104593753
1,1-dimethoxyethane;formic acid
CID 174931321
ethenol;N-prop-2-enylprop-2-enamide
CID 88846304
N-(2-aminopropyl)prop-2-enamide
CID 19993421
N-[(E)-pent-2-enyl]prop-2-enamide
CID 131241342
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
1,1-dimethoxyethane;prop-2-enyl acetate
CID 87678916
N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide
CID 167098282

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethane;N-(2-oxoethyl)prop-2-enamide?
The IUPAC name of 1,1-dimethoxyethane;N-(2-oxoethyl)prop-2-enamide (CID 87223904) is 1,1-dimethoxyethane;N-(2-oxoethyl)prop-2-enamide.
What is the SMILES notation for 1,1-dimethoxyethane;N-(2-oxoethyl)prop-2-enamide?
The canonical SMILES for 1,1-dimethoxyethane;N-(2-oxoethyl)prop-2-enamide is C=CC(=O)NCC=O.COC(C)OC.
What is the InChIKey of 1,1-dimethoxyethane;N-(2-oxoethyl)prop-2-enamide?
The InChIKey is FSXJZPRAFWZIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.C4H10O2/c1-2-5(8)6-3-4-7;1-4(5-2)6-3/h2,4H,1,3H2,(H,6,8);4H,1-3H3.
What are the key properties of 1,1-dimethoxyethane;N-(2-oxoethyl)prop-2-enamide?
1,1-dimethoxyethane;N-(2-oxoethyl)prop-2-enamide has a molecular weight of 203.24 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethane;N-(2-oxoethyl)prop-2-enamide is sourced from PubChem (CID 87223904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).