2-methyl-N,N-bis(2-methylprop-2-enoyl)prop-2-enamide

C12H15NO3 — CID 54303994

IUPAC2-methyl-N,N-bis(2-methylprop-2-enoyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C(=O)C(=C)C)C(=O)C(=C)C
InChIInChI=1S/C12H15NO3/c1-7(2)10(14)13(11(15)8(3)4)12(16)9(5)6/h1,3,5H2,2,4,6H3
InChIKeySGFBRTCQUMXPQB-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.60
Rot. Bonds3

About 2-methyl-N,N-bis(2-methylprop-2-enoyl)prop-2-enamide

2-methyl-N,N-bis(2-methylprop-2-enoyl)prop-2-enamide (PubChem CID 54303994) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-methyl-N,N-bis(2-methylprop-2-enoyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N,N-bis(2-methylprop-2-enoyl)prop-2-enamide
PubChem CID54303994
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-methyl-N,N-bis(2-methylprop-2-enoyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C(=O)C(=C)C)C(=O)C(=C)C
InChIInChI=1S/C12H15NO3/c1-7(2)10(14)13(11(15)8(3)4)12(16)9(5)6/h1,3,5H2,2,4,6H3
InChIKeySGFBRTCQUMXPQB-UHFFFAOYSA-N
XLogP1.60
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,N-bis(2-methylprop-2-enoyl)prop-2-enamide?
The IUPAC name of 2-methyl-N,N-bis(2-methylprop-2-enoyl)prop-2-enamide (CID 54303994) is 2-methyl-N,N-bis(2-methylprop-2-enoyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N,N-bis(2-methylprop-2-enoyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N,N-bis(2-methylprop-2-enoyl)prop-2-enamide is C=C(C)C(=O)N(C(=O)C(=C)C)C(=O)C(=C)C.
What is the InChIKey of 2-methyl-N,N-bis(2-methylprop-2-enoyl)prop-2-enamide?
The InChIKey is SGFBRTCQUMXPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-7(2)10(14)13(11(15)8(3)4)12(16)9(5)6/h1,3,5H2,2,4,6H3.
What are the key properties of 2-methyl-N,N-bis(2-methylprop-2-enoyl)prop-2-enamide?
2-methyl-N,N-bis(2-methylprop-2-enoyl)prop-2-enamide has a molecular weight of 221.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis(2-methylprop-2-enoyl)prop-2-enamide is sourced from PubChem (CID 54303994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).