2-methyl-N-propa-1,2-dienylprop-2-enamide

C7H9NO — CID 87554881

IUPAC2-methyl-N-propa-1,2-dienylprop-2-enamide
SMILESC=C=CNC(=O)C(=C)C
InChIInChI=1S/C7H9NO/c1-4-5-8-7(9)6(2)3/h5H,1-2H2,3H3,(H,8,9)
InChIKeyQTVVNQPUNWZISE-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.98
Rot. Bonds2

About 2-methyl-N-propa-1,2-dienylprop-2-enamide

2-methyl-N-propa-1,2-dienylprop-2-enamide (PubChem CID 87554881) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-methyl-N-propa-1,2-dienylprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-propa-1,2-dienylprop-2-enamide
PubChem CID87554881
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2-methyl-N-propa-1,2-dienylprop-2-enamide
SMILESC=C=CNC(=O)C(=C)C
InChIInChI=1S/C7H9NO/c1-4-5-8-7(9)6(2)3/h5H,1-2H2,3H3,(H,8,9)
InChIKeyQTVVNQPUNWZISE-UHFFFAOYSA-N
XLogP0.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-methyl-N-propa-1,2-dienylprop-2-enamide?
The IUPAC name of 2-methyl-N-propa-1,2-dienylprop-2-enamide (CID 87554881) is 2-methyl-N-propa-1,2-dienylprop-2-enamide.
What is the SMILES notation for 2-methyl-N-propa-1,2-dienylprop-2-enamide?
The canonical SMILES for 2-methyl-N-propa-1,2-dienylprop-2-enamide is C=C=CNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-propa-1,2-dienylprop-2-enamide?
The InChIKey is QTVVNQPUNWZISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-4-5-8-7(9)6(2)3/h5H,1-2H2,3H3,(H,8,9).
What are the key properties of 2-methyl-N-propa-1,2-dienylprop-2-enamide?
2-methyl-N-propa-1,2-dienylprop-2-enamide has a molecular weight of 123.15 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propa-1,2-dienylprop-2-enamide is sourced from PubChem (CID 87554881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).