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

C21H41NOSn — CID 11464880

IUPAC(3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)pyrrolidin-2-one
SMILESCCCC[Sn](/C=C1/CCN(CC(C)C)C1=O)(CCCC)CCCC
InChIInChI=1S/C9H14NO.3C4H9.Sn/c1-7(2)6-10-5-4-8(3)9(10)11;3*1-3-4-2;/h3,7H,4-6H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyNRBVJLJIAHIPMH-UHFFFAOYSA-N
MW442.28 g/mol
LogP6.19
Rot. Bonds12

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

(3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)pyrrolidin-2-one (PubChem CID 11464880) has the molecular formula C21H41NOSn and a molecular weight of 442.28 g/mol. Its IUPAC name is (3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)pyrrolidin-2-one.

Molecular Properties

Compound Name(3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)pyrrolidin-2-one
PubChem CID11464880
Molecular FormulaC21H41NOSn
Molecular Weight442.28 g/mol
Exact Mass443.22
IUPAC Name(3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)pyrrolidin-2-one
SMILESCCCC[Sn](/C=C1/CCN(CC(C)C)C1=O)(CCCC)CCCC
InChIInChI=1S/C9H14NO.3C4H9.Sn/c1-7(2)6-10-5-4-8(3)9(10)11;3*1-3-4-2;/h3,7H,4-6H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyNRBVJLJIAHIPMH-UHFFFAOYSA-N
XLogP6.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.28
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)pyrrolidin-2-one?
The IUPAC name of (3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)pyrrolidin-2-one (CID 11464880) is (3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)pyrrolidin-2-one.
What is the SMILES notation for (3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)pyrrolidin-2-one?
The canonical SMILES for (3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)pyrrolidin-2-one is CCCC[Sn](/C=C1/CCN(CC(C)C)C1=O)(CCCC)CCCC.
What is the InChIKey of (3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)pyrrolidin-2-one?
The InChIKey is NRBVJLJIAHIPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO.3C4H9.Sn/c1-7(2)6-10-5-4-8(3)9(10)11;3*1-3-4-2;/h3,7H,4-6H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of (3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)pyrrolidin-2-one?
(3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)pyrrolidin-2-one has a molecular weight of 442.28 g/mol, XLogP of 6.19, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)pyrrolidin-2-one is sourced from PubChem (CID 11464880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).