2-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)acetamide

C9H10N2O2 — CID 53426994

IUPAC2-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)acetamide
SMILESC=CC1=C(C)C(=CC(N)=O)NC1=O
InChIInChI=1S/C9H10N2O2/c1-3-6-5(2)7(4-8(10)12)11-9(6)13/h3-4H,1H2,2H3,(H2,10,12)(H,11,13)
InChIKeyJJDLLVZMTMEVBY-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.01
Rot. Bonds2

About 2-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)acetamide

2-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)acetamide (PubChem CID 53426994) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)acetamide
PubChem CID53426994
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)acetamide
SMILESC=CC1=C(C)C(=CC(N)=O)NC1=O
InChIInChI=1S/C9H10N2O2/c1-3-6-5(2)7(4-8(10)12)11-9(6)13/h3-4H,1H2,2H3,(H2,10,12)(H,11,13)
InChIKeyJJDLLVZMTMEVBY-UHFFFAOYSA-N
XLogP-0.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.01
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 2-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)acetamide?
The IUPAC name of 2-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)acetamide (CID 53426994) is 2-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)acetamide.
What is the SMILES notation for 2-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)acetamide?
The canonical SMILES for 2-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)acetamide is C=CC1=C(C)C(=CC(N)=O)NC1=O.
What is the InChIKey of 2-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)acetamide?
The InChIKey is JJDLLVZMTMEVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-3-6-5(2)7(4-8(10)12)11-9(6)13/h3-4H,1H2,2H3,(H2,10,12)(H,11,13).
What are the key properties of 2-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)acetamide?
2-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)acetamide has a molecular weight of 178.19 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)acetamide is sourced from PubChem (CID 53426994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).