prop-2-enyl 2-imino-2-(1-methylpyrrol-2-yl)acetate

C10H12N2O2 — CID 88734666

IUPACprop-2-enyl 2-imino-2-(1-methylpyrrol-2-yl)acetate
SMILES[H]/N=C(\C(=O)OCC=C)c1cccn1C
InChIInChI=1S/C10H12N2O2/c1-3-7-14-10(13)9(11)8-5-4-6-12(8)2/h3-6,11H,1,7H2,2H3/b11-9-
InChIKeySYONNLFKJVSHOA-LUAWRHEFSA-N
MW192.22 g/mol
LogP1.12
Rot. Bonds4

About prop-2-enyl 2-imino-2-(1-methylpyrrol-2-yl)acetate

prop-2-enyl 2-imino-2-(1-methylpyrrol-2-yl)acetate (PubChem CID 88734666) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is prop-2-enyl 2-imino-2-(1-methylpyrrol-2-yl)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-imino-2-(1-methylpyrrol-2-yl)acetate
PubChem CID88734666
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Nameprop-2-enyl 2-imino-2-(1-methylpyrrol-2-yl)acetate
SMILES[H]/N=C(\C(=O)OCC=C)c1cccn1C
InChIInChI=1S/C10H12N2O2/c1-3-7-14-10(13)9(11)8-5-4-6-12(8)2/h3-6,11H,1,7H2,2H3/b11-9-
InChIKeySYONNLFKJVSHOA-LUAWRHEFSA-N
XLogP1.12
TPSA55.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl 2-imino-2-(1-methylpyrrol-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-imino-2-(1-methylpyrrol-2-yl)acetate?
The IUPAC name of prop-2-enyl 2-imino-2-(1-methylpyrrol-2-yl)acetate (CID 88734666) is prop-2-enyl 2-imino-2-(1-methylpyrrol-2-yl)acetate.
What is the SMILES notation for prop-2-enyl 2-imino-2-(1-methylpyrrol-2-yl)acetate?
The canonical SMILES for prop-2-enyl 2-imino-2-(1-methylpyrrol-2-yl)acetate is [H]/N=C(\C(=O)OCC=C)c1cccn1C.
What is the InChIKey of prop-2-enyl 2-imino-2-(1-methylpyrrol-2-yl)acetate?
The InChIKey is SYONNLFKJVSHOA-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-3-7-14-10(13)9(11)8-5-4-6-12(8)2/h3-6,11H,1,7H2,2H3/b11-9-.
What are the key properties of prop-2-enyl 2-imino-2-(1-methylpyrrol-2-yl)acetate?
prop-2-enyl 2-imino-2-(1-methylpyrrol-2-yl)acetate has a molecular weight of 192.22 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-imino-2-(1-methylpyrrol-2-yl)acetate is sourced from PubChem (CID 88734666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).