ethane;4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one

C9H14N2O — CID 144576254

IUPACethane;4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one
SMILESCC.[H]/N=C/C1=C(C=C)C(=O)NC1
InChIInChI=1S/C7H8N2O.C2H6/c1-2-6-5(3-8)4-9-7(6)10;1-2/h2-3,8H,1,4H2,(H,9,10);1-2H3/b8-3+;
InChIKeyQQVZQWWVLCLGMR-DCDCITSCSA-N
MW166.22 g/mol
LogP1.27
Rot. Bonds2

About ethane;4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one

ethane;4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one (PubChem CID 144576254) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is ethane;4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Nameethane;4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one
PubChem CID144576254
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Nameethane;4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one
SMILESCC.[H]/N=C/C1=C(C=C)C(=O)NC1
InChIInChI=1S/C7H8N2O.C2H6/c1-2-6-5(3-8)4-9-7(6)10;1-2/h2-3,8H,1,4H2,(H,9,10);1-2H3/b8-3+;
InChIKeyQQVZQWWVLCLGMR-DCDCITSCSA-N
XLogP1.27
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one 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 ethane;4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one?
The IUPAC name of ethane;4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one (CID 144576254) is ethane;4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for ethane;4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for ethane;4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one is CC.[H]/N=C/C1=C(C=C)C(=O)NC1.
What is the InChIKey of ethane;4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one?
The InChIKey is QQVZQWWVLCLGMR-DCDCITSCSA-N. The full InChI is InChI=1S/C7H8N2O.C2H6/c1-2-6-5(3-8)4-9-7(6)10;1-2/h2-3,8H,1,4H2,(H,9,10);1-2H3/b8-3+;.
What are the key properties of ethane;4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one?
ethane;4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one has a molecular weight of 166.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 144576254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).