2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid

C10H16N2O4 — CID 157463819

IUPAC2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid
SMILESC=C(C)C(N)=O.C=CC(=O)O.C=CC(N)=O
InChIInChI=1S/C4H7NO.C3H5NO.C3H4O2/c1-3(2)4(5)6;2*1-2-3(4)5/h1H2,2H3,(H2,5,6);2H,1H2,(H2,4,5);2H,1H2,(H,4,5)
InChIKeyBUFWFSWJUKBSTP-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.04
Rot. Bonds3

About 2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid

2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid (PubChem CID 157463819) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid.

Molecular Properties

Compound Name2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid
PubChem CID157463819
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid
SMILESC=C(C)C(N)=O.C=CC(=O)O.C=CC(N)=O
InChIInChI=1S/C4H7NO.C3H5NO.C3H4O2/c1-3(2)4(5)6;2*1-2-3(4)5/h1H2,2H3,(H2,5,6);2H,1H2,(H2,4,5);2H,1H2,(H,4,5)
InChIKeyBUFWFSWJUKBSTP-UHFFFAOYSA-N
XLogP-0.04
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-aminoprop-2-enamide;prop-2-enoic acid
CID 173105989
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CID 159265071
ethenol;2-methylprop-2-enamide
CID 87880771
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N-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride
CID 174906754
2-methylprop-2-enamide;prop-2-enoyl chloride
CID 174876854
ethane;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173217491
2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid
CID 174363133
2-methylprop-2-enamide;hydrate
CID 88749193
2-methylprop-2-enoic acid;prop-2-enoic acid;silylsilane
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CID 174486648

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid?
The IUPAC name of 2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid (CID 157463819) is 2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid.
What is the SMILES notation for 2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid?
The canonical SMILES for 2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid is C=C(C)C(N)=O.C=CC(=O)O.C=CC(N)=O.
What is the InChIKey of 2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid?
The InChIKey is BUFWFSWJUKBSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C3H5NO.C3H4O2/c1-3(2)4(5)6;2*1-2-3(4)5/h1H2,2H3,(H2,5,6);2H,1H2,(H2,4,5);2H,1H2,(H,4,5).
What are the key properties of 2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid?
2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid is sourced from PubChem (CID 157463819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).