1,1-dimethoxyethane;2-methylprop-2-enamide

C8H17NO3 — CID 158750658

IUPAC1,1-dimethoxyethane;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.COC(C)OC
InChIInChI=1S/C4H7NO.C4H10O2/c1-3(2)4(5)6;1-4(5-2)6-3/h1H2,2H3,(H2,5,6);4H,1-3H3
InChIKeyINKZWPUPWYPIRV-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.67
Rot. Bonds3

About 1,1-dimethoxyethane;2-methylprop-2-enamide

1,1-dimethoxyethane;2-methylprop-2-enamide (PubChem CID 158750658) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1,1-dimethoxyethane;2-methylprop-2-enamide.

Molecular Properties

Compound Name1,1-dimethoxyethane;2-methylprop-2-enamide
PubChem CID158750658
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name1,1-dimethoxyethane;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.COC(C)OC
InChIInChI=1S/C4H7NO.C4H10O2/c1-3(2)4(5)6;1-4(5-2)6-3/h1H2,2H3,(H2,5,6);4H,1-3H3
InChIKeyINKZWPUPWYPIRV-UHFFFAOYSA-N
XLogP0.67
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

2-methylprop-2-enamide;hydrate
CID 88749193
(2R)-2-aminopropanoic acid;2-methylprop-2-enamide
CID 175865115
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078
1,1-dimethoxyethane;prop-2-enyl acetate
CID 87678916
sodium;2-methylprop-2-enamide;propane
CID 159451329
dipotassium;1,1-dimethoxyethane;carbonate
CID 174946253
2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one
CID 159159357
bis(2-methylprop-2-enamide);phosphoric acid
CID 87675275
ethenol;2-methylprop-2-enamide
CID 87880771
1,1-dimethoxyethane;ethyl acetate;trihydrobromide
CID 173412257
1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate
CID 18965589
methyl 3-(tert-butylamino)-2-methylidenebutanoate;2-methylprop-2-enamide
CID 174514180

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethane;2-methylprop-2-enamide?
The IUPAC name of 1,1-dimethoxyethane;2-methylprop-2-enamide (CID 158750658) is 1,1-dimethoxyethane;2-methylprop-2-enamide.
What is the SMILES notation for 1,1-dimethoxyethane;2-methylprop-2-enamide?
The canonical SMILES for 1,1-dimethoxyethane;2-methylprop-2-enamide is C=C(C)C(N)=O.COC(C)OC.
What is the InChIKey of 1,1-dimethoxyethane;2-methylprop-2-enamide?
The InChIKey is INKZWPUPWYPIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C4H10O2/c1-3(2)4(5)6;1-4(5-2)6-3/h1H2,2H3,(H2,5,6);4H,1-3H3.
What are the key properties of 1,1-dimethoxyethane;2-methylprop-2-enamide?
1,1-dimethoxyethane;2-methylprop-2-enamide has a molecular weight of 175.23 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethane;2-methylprop-2-enamide is sourced from PubChem (CID 158750658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).