N,N-dimethylprop-2-enamide;prop-2-enamide

C8H14N2O2 — CID 19754910

IUPACN,N-dimethylprop-2-enamide;prop-2-enamide
SMILESC=CC(=O)N(C)C.C=CC(N)=O
InChIInChI=1S/C5H9NO.C3H5NO/c1-4-5(7)6(2)3;1-2-3(4)5/h4H,1H2,2-3H3;2H,1H2,(H2,4,5)
InChIKeyMMLLLDIKZOMEQH-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.08
Rot. Bonds2

About N,N-dimethylprop-2-enamide;prop-2-enamide

N,N-dimethylprop-2-enamide;prop-2-enamide (PubChem CID 19754910) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N,N-dimethylprop-2-enamide;prop-2-enamide.

Molecular Properties

Compound NameN,N-dimethylprop-2-enamide;prop-2-enamide
PubChem CID19754910
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN,N-dimethylprop-2-enamide;prop-2-enamide
SMILESC=CC(=O)N(C)C.C=CC(N)=O
InChIInChI=1S/C5H9NO.C3H5NO/c1-4-5(7)6(2)3;1-2-3(4)5/h4H,1H2,2-3H3;2H,1H2,(H2,4,5)
InChIKeyMMLLLDIKZOMEQH-UHFFFAOYSA-N
XLogP-0.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylprop-2-enamide;prop-2-enamide?
The IUPAC name of N,N-dimethylprop-2-enamide;prop-2-enamide (CID 19754910) is N,N-dimethylprop-2-enamide;prop-2-enamide.
What is the SMILES notation for N,N-dimethylprop-2-enamide;prop-2-enamide?
The canonical SMILES for N,N-dimethylprop-2-enamide;prop-2-enamide is C=CC(=O)N(C)C.C=CC(N)=O.
What is the InChIKey of N,N-dimethylprop-2-enamide;prop-2-enamide?
The InChIKey is MMLLLDIKZOMEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C3H5NO/c1-4-5(7)6(2)3;1-2-3(4)5/h4H,1H2,2-3H3;2H,1H2,(H2,4,5).
What are the key properties of N,N-dimethylprop-2-enamide;prop-2-enamide?
N,N-dimethylprop-2-enamide;prop-2-enamide has a molecular weight of 170.21 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-2-enamide;prop-2-enamide is sourced from PubChem (CID 19754910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).