(3Z)-1-propyl-3-(tributylstannylmethylidene)pyrrolidin-2-one

C20H39NOSn — CID 177469313

IUPAC(3Z)-1-propyl-3-(tributylstannylmethylidene)pyrrolidin-2-one
SMILESCCCC[Sn](/C=C1/CCN(CCC)C1=O)(CCCC)CCCC
InChIInChI=1S/C8H12NO.3C4H9.Sn/c1-3-5-9-6-4-7(2)8(9)10;3*1-3-4-2;/h2H,3-6H2,1H3;3*1,3-4H2,2H3;
InChIKeyKSBMKRDBGOGADF-UHFFFAOYSA-N
MW428.25 g/mol
LogP5.94
Rot. Bonds12

About (3Z)-1-propyl-3-(tributylstannylmethylidene)pyrrolidin-2-one

(3Z)-1-propyl-3-(tributylstannylmethylidene)pyrrolidin-2-one (PubChem CID 177469313) has the molecular formula C20H39NOSn and a molecular weight of 428.25 g/mol. Its IUPAC name is (3Z)-1-propyl-3-(tributylstannylmethylidene)pyrrolidin-2-one.

Molecular Properties

Compound Name(3Z)-1-propyl-3-(tributylstannylmethylidene)pyrrolidin-2-one
PubChem CID177469313
Molecular FormulaC20H39NOSn
Molecular Weight428.25 g/mol
Exact Mass429.21
IUPAC Name(3Z)-1-propyl-3-(tributylstannylmethylidene)pyrrolidin-2-one
SMILESCCCC[Sn](/C=C1/CCN(CCC)C1=O)(CCCC)CCCC
InChIInChI=1S/C8H12NO.3C4H9.Sn/c1-3-5-9-6-4-7(2)8(9)10;3*1-3-4-2;/h2H,3-6H2,1H3;3*1,3-4H2,2H3;
InChIKeyKSBMKRDBGOGADF-UHFFFAOYSA-N
XLogP5.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.25
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-1-propyl-3-(tributylstannylmethylidene)pyrrolidin-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

(3E)-3-(tributylstannylmethylidene)azepan-2-one
CID 177475132
(6Z)-6-(tributylstannylmethylidene)-1,4-oxazepan-5-one
CID 177482261
(4S,5S,6Z,7S,11S)-5-hydroxy-6-(tributylstannylmethylidene)-3-oxa-1-azatricyclo[5.3.1.04,11]undecan-2-one
CID 11155948
5-(2,3-dioxo-4-propylpiperazin-1-yl)pentanenitrile
CID 113463112
3-butyl-6-methylidene-1,3-oxazinan-2-one
CID 123635823
1-butylpiperidine-2,4-dione
CID 79515410
1,3-dibutylimidazolidin-2-one
CID 20887
2-nonyl-3,4-dihydroisoquinolin-1-one
CID 104501189
7-iodo-2-propyl-3,4-dihydroisoquinolin-1-one
CID 79787698
1-propyl-1,3-diazinane-2,5-dione
CID 155748543
1-decyl-1,3-diazinane-2,4-dione
CID 77019056
2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde
CID 84765786

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-propyl-3-(tributylstannylmethylidene)pyrrolidin-2-one?
The IUPAC name of (3Z)-1-propyl-3-(tributylstannylmethylidene)pyrrolidin-2-one (CID 177469313) is (3Z)-1-propyl-3-(tributylstannylmethylidene)pyrrolidin-2-one.
What is the SMILES notation for (3Z)-1-propyl-3-(tributylstannylmethylidene)pyrrolidin-2-one?
The canonical SMILES for (3Z)-1-propyl-3-(tributylstannylmethylidene)pyrrolidin-2-one is CCCC[Sn](/C=C1/CCN(CCC)C1=O)(CCCC)CCCC.
What is the InChIKey of (3Z)-1-propyl-3-(tributylstannylmethylidene)pyrrolidin-2-one?
The InChIKey is KSBMKRDBGOGADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO.3C4H9.Sn/c1-3-5-9-6-4-7(2)8(9)10;3*1-3-4-2;/h2H,3-6H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of (3Z)-1-propyl-3-(tributylstannylmethylidene)pyrrolidin-2-one?
(3Z)-1-propyl-3-(tributylstannylmethylidene)pyrrolidin-2-one has a molecular weight of 428.25 g/mol, XLogP of 5.94, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-propyl-3-(tributylstannylmethylidene)pyrrolidin-2-one is sourced from PubChem (CID 177469313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).