(3Z,4Z)-1-benzyl-3-heptylidene-4-(trimethylsilylmethylidene)pyrrolidin-2-one

C22H33NOSi — CID 102376042

IUPAC(3Z,4Z)-1-benzyl-3-heptylidene-4-(trimethylsilylmethylidene)pyrrolidin-2-one
SMILESCCCCCC/C=C1\C(=O)N(Cc2ccccc2)C\C1=C/[Si](C)(C)C
InChIInChI=1S/C22H33NOSi/c1-5-6-7-8-12-15-21-20(18-25(2,3)4)17-23(22(21)24)16-19-13-10-9-11-14-19/h9-11,13-15,18H,5-8,12,16-17H2,1-4H3/b20-18+,21-15-
InChIKeyLFJHSOHFXCMQAN-IZLBGDMHSA-N
MW355.60 g/mol
LogP5.73
Rot. Bonds8

About (3Z,4Z)-1-benzyl-3-heptylidene-4-(trimethylsilylmethylidene)pyrrolidin-2-one

(3Z,4Z)-1-benzyl-3-heptylidene-4-(trimethylsilylmethylidene)pyrrolidin-2-one (PubChem CID 102376042) has the molecular formula C22H33NOSi and a molecular weight of 355.60 g/mol. Its IUPAC name is (3Z,4Z)-1-benzyl-3-heptylidene-4-(trimethylsilylmethylidene)pyrrolidin-2-one.

Molecular Properties

Compound Name(3Z,4Z)-1-benzyl-3-heptylidene-4-(trimethylsilylmethylidene)pyrrolidin-2-one
PubChem CID102376042
Molecular FormulaC22H33NOSi
Molecular Weight355.60 g/mol
Exact Mass355.23
IUPAC Name(3Z,4Z)-1-benzyl-3-heptylidene-4-(trimethylsilylmethylidene)pyrrolidin-2-one
SMILESCCCCCC/C=C1\C(=O)N(Cc2ccccc2)C\C1=C/[Si](C)(C)C
InChIInChI=1S/C22H33NOSi/c1-5-6-7-8-12-15-21-20(18-25(2,3)4)17-23(22(21)24)16-19-13-10-9-11-14-19/h9-11,13-15,18H,5-8,12,16-17H2,1-4H3/b20-18+,21-15-
InChIKeyLFJHSOHFXCMQAN-IZLBGDMHSA-N
XLogP5.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.60
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,4Z)-1-benzyl-3-heptylidene-4-(trimethylsilylmethylidene)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

Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-1-benzyl-3-heptylidene-4-(trimethylsilylmethylidene)pyrrolidin-2-one?
The IUPAC name of (3Z,4Z)-1-benzyl-3-heptylidene-4-(trimethylsilylmethylidene)pyrrolidin-2-one (CID 102376042) is (3Z,4Z)-1-benzyl-3-heptylidene-4-(trimethylsilylmethylidene)pyrrolidin-2-one.
What is the SMILES notation for (3Z,4Z)-1-benzyl-3-heptylidene-4-(trimethylsilylmethylidene)pyrrolidin-2-one?
The canonical SMILES for (3Z,4Z)-1-benzyl-3-heptylidene-4-(trimethylsilylmethylidene)pyrrolidin-2-one is CCCCCC/C=C1\C(=O)N(Cc2ccccc2)C\C1=C/[Si](C)(C)C.
What is the InChIKey of (3Z,4Z)-1-benzyl-3-heptylidene-4-(trimethylsilylmethylidene)pyrrolidin-2-one?
The InChIKey is LFJHSOHFXCMQAN-IZLBGDMHSA-N. The full InChI is InChI=1S/C22H33NOSi/c1-5-6-7-8-12-15-21-20(18-25(2,3)4)17-23(22(21)24)16-19-13-10-9-11-14-19/h9-11,13-15,18H,5-8,12,16-17H2,1-4H3/b20-18+,21-15-.
What are the key properties of (3Z,4Z)-1-benzyl-3-heptylidene-4-(trimethylsilylmethylidene)pyrrolidin-2-one?
(3Z,4Z)-1-benzyl-3-heptylidene-4-(trimethylsilylmethylidene)pyrrolidin-2-one has a molecular weight of 355.60 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-1-benzyl-3-heptylidene-4-(trimethylsilylmethylidene)pyrrolidin-2-one is sourced from PubChem (CID 102376042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).