2-methyl-N-prop-2-enoxypropanamide

C7H13NO2 — CID 130921030

IUPAC2-methyl-N-prop-2-enoxypropanamide
SMILESC=CCONC(=O)C(C)C
InChIInChI=1S/C7H13NO2/c1-4-5-10-8-7(9)6(2)3/h4,6H,1,5H2,2-3H3,(H,8,9)
InChIKeyDVOZBNUIPLFIAG-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.88
Rot. Bonds4

About 2-methyl-N-prop-2-enoxypropanamide

2-methyl-N-prop-2-enoxypropanamide (PubChem CID 130921030) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enoxypropanamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-enoxypropanamide
PubChem CID130921030
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-methyl-N-prop-2-enoxypropanamide
SMILESC=CCONC(=O)C(C)C
InChIInChI=1S/C7H13NO2/c1-4-5-10-8-7(9)6(2)3/h4,6H,1,5H2,2-3H3,(H,8,9)
InChIKeyDVOZBNUIPLFIAG-UHFFFAOYSA-N
XLogP0.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enoxypropanamide?
The IUPAC name of 2-methyl-N-prop-2-enoxypropanamide (CID 130921030) is 2-methyl-N-prop-2-enoxypropanamide.
What is the SMILES notation for 2-methyl-N-prop-2-enoxypropanamide?
The canonical SMILES for 2-methyl-N-prop-2-enoxypropanamide is C=CCONC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-prop-2-enoxypropanamide?
The InChIKey is DVOZBNUIPLFIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-5-10-8-7(9)6(2)3/h4,6H,1,5H2,2-3H3,(H,8,9).
What are the key properties of 2-methyl-N-prop-2-enoxypropanamide?
2-methyl-N-prop-2-enoxypropanamide has a molecular weight of 143.19 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enoxypropanamide is sourced from PubChem (CID 130921030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).