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

C7H8N2O — CID 144576255

IUPAC4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one
SMILES[H]/N=C/C1=C(C=C)C(=O)NC1
InChIInChI=1S/C7H8N2O/c1-2-6-5(3-8)4-9-7(6)10/h2-3,8H,1,4H2,(H,9,10)/b8-3+
InChIKeyQPFALEKYYZYZQO-FPYGCLRLSA-N
MW136.15 g/mol
LogP0.25
Rot. Bonds2

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

4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one (PubChem CID 144576255) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one
PubChem CID144576255
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one
SMILES[H]/N=C/C1=C(C=C)C(=O)NC1
InChIInChI=1S/C7H8N2O/c1-2-6-5(3-8)4-9-7(6)10/h2-3,8H,1,4H2,(H,9,10)/b8-3+
InChIKeyQPFALEKYYZYZQO-FPYGCLRLSA-N
XLogP0.25
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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

Related Compounds

4-ethenyl-3-[(Z)-4-methylpent-2-en-3-yl]-1,2-dihydropyrrol-5-one
CID 164907140
ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one
CID 143089748
(3E)-3-(aminomethylidene)-4-iminopyrrolidin-2-one
CID 163788337
3-ethenyl-4-methanimidoyl-1-(3-methylpentan-3-yl)pyrrole-2,5-dione
CID 170026460
(2-ethenyl-1H-pyrrol-3-yl)methanimine
CID 142384190
2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione
CID 139417142
4-ethenyl-5-methanimidoyl-3H-1,3-thiazole-2-thione
CID 142318042
4-amino-5-methanimidoyl-3H-pyridine-2,6-dione;propane
CID 155579582
3-ethylideneazetidin-2-one
CID 71337258
aziridin-2-one;formaldehyde
CID 19936529
3-sulfanylideneazetidin-2-one
CID 18795137
2-ethenyl-3-methoxycyclohex-2-en-1-one
CID 45116896

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one (CID 144576255) is 4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one is [H]/N=C/C1=C(C=C)C(=O)NC1.
What is the InChIKey of 4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one?
The InChIKey is QPFALEKYYZYZQO-FPYGCLRLSA-N. The full InChI is InChI=1S/C7H8N2O/c1-2-6-5(3-8)4-9-7(6)10/h2-3,8H,1,4H2,(H,9,10)/b8-3+.
What are the key properties of 4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one?
4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one has a molecular weight of 136.15 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 144576255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).