N-methyl-N-prop-2-enylacetamide;prop-2-enamide

C9H16N2O2 — CID 19908629

IUPACN-methyl-N-prop-2-enylacetamide;prop-2-enamide
SMILESC=CC(N)=O.C=CCN(C)C(C)=O
InChIInChI=1S/C6H11NO.C3H5NO/c1-4-5-7(3)6(2)8;1-2-3(4)5/h4H,1,5H2,2-3H3;2H,1H2,(H2,4,5)
InChIKeyCPXICTAJGMRFAW-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.31
Rot. Bonds3

About N-methyl-N-prop-2-enylacetamide;prop-2-enamide

N-methyl-N-prop-2-enylacetamide;prop-2-enamide (PubChem CID 19908629) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-methyl-N-prop-2-enylacetamide;prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-prop-2-enylacetamide;prop-2-enamide
PubChem CID19908629
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-methyl-N-prop-2-enylacetamide;prop-2-enamide
SMILESC=CC(N)=O.C=CCN(C)C(C)=O
InChIInChI=1S/C6H11NO.C3H5NO/c1-4-5-7(3)6(2)8;1-2-3(4)5/h4H,1,5H2,2-3H3;2H,1H2,(H2,4,5)
InChIKeyCPXICTAJGMRFAW-UHFFFAOYSA-N
XLogP0.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-enylacetamide;prop-2-enamide?
The IUPAC name of N-methyl-N-prop-2-enylacetamide;prop-2-enamide (CID 19908629) is N-methyl-N-prop-2-enylacetamide;prop-2-enamide.
What is the SMILES notation for N-methyl-N-prop-2-enylacetamide;prop-2-enamide?
The canonical SMILES for N-methyl-N-prop-2-enylacetamide;prop-2-enamide is C=CC(N)=O.C=CCN(C)C(C)=O.
What is the InChIKey of N-methyl-N-prop-2-enylacetamide;prop-2-enamide?
The InChIKey is CPXICTAJGMRFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C3H5NO/c1-4-5-7(3)6(2)8;1-2-3(4)5/h4H,1,5H2,2-3H3;2H,1H2,(H2,4,5).
What are the key properties of N-methyl-N-prop-2-enylacetamide;prop-2-enamide?
N-methyl-N-prop-2-enylacetamide;prop-2-enamide has a molecular weight of 184.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enylacetamide;prop-2-enamide is sourced from PubChem (CID 19908629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).