2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one

C11H19NO4 — CID 159159357

IUPAC2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one
SMILESC=C(C)C(=O)O.C=C(C)C(N)=O.CC(C)=O
InChIInChI=1S/C4H7NO.C4H6O2.C3H6O/c2*1-3(2)4(5)6;1-3(2)4/h1H2,2H3,(H2,5,6);1H2,2H3,(H,5,6);1-2H3
InChIKeyKKHLLVGHZHRKBU-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.29
Rot. Bonds2

About 2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one

2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one (PubChem CID 159159357) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one.

Molecular Properties

Compound Name2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one
PubChem CID159159357
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one
SMILESC=C(C)C(=O)O.C=C(C)C(N)=O.CC(C)=O
InChIInChI=1S/C4H7NO.C4H6O2.C3H6O/c2*1-3(2)4(5)6;1-3(2)4/h1H2,2H3,(H2,5,6);1H2,2H3,(H,5,6);1-2H3
InChIKeyKKHLLVGHZHRKBU-UHFFFAOYSA-N
XLogP1.29
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enamide;hydrate
CID 88749193
methanol;2-methylprop-2-enoic acid;propan-2-one
CID 174711674
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one?
The IUPAC name of 2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one (CID 159159357) is 2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one.
What is the SMILES notation for 2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one?
The canonical SMILES for 2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one is C=C(C)C(=O)O.C=C(C)C(N)=O.CC(C)=O.
What is the InChIKey of 2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one?
The InChIKey is KKHLLVGHZHRKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C4H6O2.C3H6O/c2*1-3(2)4(5)6;1-3(2)4/h1H2,2H3,(H2,5,6);1H2,2H3,(H,5,6);1-2H3.
What are the key properties of 2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one?
2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one is sourced from PubChem (CID 159159357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).