3-(7-fluoro-3H-1,2-benzoselenazol-2-yl)-5-methylidenepyrrolidin-2-one

C12H11FN2OSe — CID 160593498

IUPAC3-(7-fluoro-3H-1,2-benzoselenazol-2-yl)-5-methylidenepyrrolidin-2-one
SMILESC=C1CC(N2Cc3cccc(F)c3[Se]2)C(=O)N1
InChIInChI=1S/C12H11FN2OSe/c1-7-5-10(12(16)14-7)15-6-8-3-2-4-9(13)11(8)17-15/h2-4,10H,1,5-6H2,(H,14,16)
InChIKeyVUNOHQPLCGJXIW-UHFFFAOYSA-N
MW297.19 g/mol
LogP0.29
Rot. Bonds1

About 3-(7-fluoro-3H-1,2-benzoselenazol-2-yl)-5-methylidenepyrrolidin-2-one

3-(7-fluoro-3H-1,2-benzoselenazol-2-yl)-5-methylidenepyrrolidin-2-one (PubChem CID 160593498) has the molecular formula C12H11FN2OSe and a molecular weight of 297.19 g/mol. Its IUPAC name is 3-(7-fluoro-3H-1,2-benzoselenazol-2-yl)-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name3-(7-fluoro-3H-1,2-benzoselenazol-2-yl)-5-methylidenepyrrolidin-2-one
PubChem CID160593498
Molecular FormulaC12H11FN2OSe
Molecular Weight297.19 g/mol
Exact Mass298.00
IUPAC Name3-(7-fluoro-3H-1,2-benzoselenazol-2-yl)-5-methylidenepyrrolidin-2-one
SMILESC=C1CC(N2Cc3cccc(F)c3[Se]2)C(=O)N1
InChIInChI=1S/C12H11FN2OSe/c1-7-5-10(12(16)14-7)15-6-8-3-2-4-9(13)11(8)17-15/h2-4,10H,1,5-6H2,(H,14,16)
InChIKeyVUNOHQPLCGJXIW-UHFFFAOYSA-N
XLogP0.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(7-fluoro-3H-1,2-benzoselenazol-2-yl)-5-methylidenepyrrolidin-2-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

3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione
CID 159386129
3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one
CID 170009468
5-tert-butyl-7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 161388015
7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one
CID 158779317
5-tert-butyl-6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 157204603
3-amino-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 84618485
N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-phenylbenzenesulfonamide
CID 167591123
2-(6-methylidene-2-oxopiperidin-3-yl)-4-(piperidin-4-ylamino)-3H-isoindol-1-one
CID 167471106
3-[6-[2-(2,6-difluorophenyl)-2-fluoroethyl]-3-methylidene-1H-isoindol-2-yl]piperidine-2,6-dione
CID 139456837
3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one
CID 170079417
2-(6-methylidene-2-oxopiperidin-3-yl)-6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-3H-isoindol-1-one
CID 167644766
3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione
CID 165027847

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-3H-1,2-benzoselenazol-2-yl)-5-methylidenepyrrolidin-2-one?
The IUPAC name of 3-(7-fluoro-3H-1,2-benzoselenazol-2-yl)-5-methylidenepyrrolidin-2-one (CID 160593498) is 3-(7-fluoro-3H-1,2-benzoselenazol-2-yl)-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 3-(7-fluoro-3H-1,2-benzoselenazol-2-yl)-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 3-(7-fluoro-3H-1,2-benzoselenazol-2-yl)-5-methylidenepyrrolidin-2-one is C=C1CC(N2Cc3cccc(F)c3[Se]2)C(=O)N1.
What is the InChIKey of 3-(7-fluoro-3H-1,2-benzoselenazol-2-yl)-5-methylidenepyrrolidin-2-one?
The InChIKey is VUNOHQPLCGJXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OSe/c1-7-5-10(12(16)14-7)15-6-8-3-2-4-9(13)11(8)17-15/h2-4,10H,1,5-6H2,(H,14,16).
What are the key properties of 3-(7-fluoro-3H-1,2-benzoselenazol-2-yl)-5-methylidenepyrrolidin-2-one?
3-(7-fluoro-3H-1,2-benzoselenazol-2-yl)-5-methylidenepyrrolidin-2-one has a molecular weight of 297.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-3H-1,2-benzoselenazol-2-yl)-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 160593498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).