2-methylidene-N,N'-di(prop-2-enoyl)butanediamide

C11H12N2O4 — CID 57291508

IUPAC2-methylidene-N,N'-di(prop-2-enoyl)butanediamide
SMILESC=CC(=O)NC(=O)CC(=C)C(=O)NC(=O)C=C
InChIInChI=1S/C11H12N2O4/c1-4-8(14)12-10(16)6-7(3)11(17)13-9(15)5-2/h4-5H,1-3,6H2,(H,12,14,16)(H,13,15,17)
InChIKeyKYZPLFYNKFFZGO-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.41
Rot. Bonds5

About 2-methylidene-N,N'-di(prop-2-enoyl)butanediamide

2-methylidene-N,N'-di(prop-2-enoyl)butanediamide (PubChem CID 57291508) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-methylidene-N,N'-di(prop-2-enoyl)butanediamide.

Molecular Properties

Compound Name2-methylidene-N,N'-di(prop-2-enoyl)butanediamide
PubChem CID57291508
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-methylidene-N,N'-di(prop-2-enoyl)butanediamide
SMILESC=CC(=O)NC(=O)CC(=C)C(=O)NC(=O)C=C
InChIInChI=1S/C11H12N2O4/c1-4-8(14)12-10(16)6-7(3)11(17)13-9(15)5-2/h4-5H,1-3,6H2,(H,12,14,16)(H,13,15,17)
InChIKeyKYZPLFYNKFFZGO-UHFFFAOYSA-N
XLogP-0.41
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylidene-N,N'-di(prop-2-enoyl)butanediamide?
The IUPAC name of 2-methylidene-N,N'-di(prop-2-enoyl)butanediamide (CID 57291508) is 2-methylidene-N,N'-di(prop-2-enoyl)butanediamide.
What is the SMILES notation for 2-methylidene-N,N'-di(prop-2-enoyl)butanediamide?
The canonical SMILES for 2-methylidene-N,N'-di(prop-2-enoyl)butanediamide is C=CC(=O)NC(=O)CC(=C)C(=O)NC(=O)C=C.
What is the InChIKey of 2-methylidene-N,N'-di(prop-2-enoyl)butanediamide?
The InChIKey is KYZPLFYNKFFZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-4-8(14)12-10(16)6-7(3)11(17)13-9(15)5-2/h4-5H,1-3,6H2,(H,12,14,16)(H,13,15,17).
What are the key properties of 2-methylidene-N,N'-di(prop-2-enoyl)butanediamide?
2-methylidene-N,N'-di(prop-2-enoyl)butanediamide has a molecular weight of 236.23 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N,N'-di(prop-2-enoyl)butanediamide is sourced from PubChem (CID 57291508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).