N,2-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide

C11H20N2O2 — CID 18678970

IUPACN,2-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)NC.C=CC(=O)NC(C)C
InChIInChI=1S/C6H11NO.C5H9NO/c1-4-6(8)7-5(2)3;1-4(2)5(7)6-3/h4-5H,1H2,2-3H3,(H,7,8);1H2,2-3H3,(H,6,7)
InChIKeyMHZAVGIAEJAFSR-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.01
Rot. Bonds3

About N,2-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide

N,2-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide (PubChem CID 18678970) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N,2-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound NameN,2-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide
PubChem CID18678970
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN,2-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)NC.C=CC(=O)NC(C)C
InChIInChI=1S/C6H11NO.C5H9NO/c1-4-6(8)7-5(2)3;1-4(2)5(7)6-3/h4-5H,1H2,2-3H3,(H,7,8);1H2,2-3H3,(H,6,7)
InChIKeyMHZAVGIAEJAFSR-UHFFFAOYSA-N
XLogP1.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
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,2-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide?
The IUPAC name of N,2-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide (CID 18678970) is N,2-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide.
What is the SMILES notation for N,2-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide?
The canonical SMILES for N,2-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide is C=C(C)C(=O)NC.C=CC(=O)NC(C)C.
What is the InChIKey of N,2-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide?
The InChIKey is MHZAVGIAEJAFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C5H9NO/c1-4-6(8)7-5(2)3;1-4(2)5(7)6-3/h4-5H,1H2,2-3H3,(H,7,8);1H2,2-3H3,(H,6,7).
What are the key properties of N,2-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide?
N,2-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide has a molecular weight of 212.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 18678970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).