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

C22H43NOSn — CID 11385532

IUPAC(3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)piperidin-2-one
SMILESCCCC[Sn](/C=C1/CCCN(CC(C)C)C1=O)(CCCC)CCCC
InChIInChI=1S/C10H16NO.3C4H9.Sn/c1-8(2)7-11-6-4-5-9(3)10(11)12;3*1-3-4-2;/h3,8H,4-7H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyNFEVYYAVRKIELQ-UHFFFAOYSA-N
MW456.30 g/mol
LogP6.58
Rot. Bonds12

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

(3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)piperidin-2-one (PubChem CID 11385532) has the molecular formula C22H43NOSn and a molecular weight of 456.30 g/mol. Its IUPAC name is (3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)piperidin-2-one.

Molecular Properties

Compound Name(3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)piperidin-2-one
PubChem CID11385532
Molecular FormulaC22H43NOSn
Molecular Weight456.30 g/mol
Exact Mass457.24
IUPAC Name(3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)piperidin-2-one
SMILESCCCC[Sn](/C=C1/CCCN(CC(C)C)C1=O)(CCCC)CCCC
InChIInChI=1S/C10H16NO.3C4H9.Sn/c1-8(2)7-11-6-4-5-9(3)10(11)12;3*1-3-4-2;/h3,8H,4-7H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyNFEVYYAVRKIELQ-UHFFFAOYSA-N
XLogP6.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.30
LogP ≤ 56.58
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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Related Compounds

1-Methyl-3-methylidenepiperidin-2-one
CID 10486852
1-(3,7,11-Trimethyldodeca-2,6,10-trien-1-yl)piperidin-2-one
CID 53440419
1-(3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraenyl)piperidin-2-one
CID 69590412
(3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)azepan-2-one
CID 11248405
3-Methylidene-1-pentan-3-ylpiperidin-2-one
CID 101737967
6-Methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one
CID 102384804
(3Z)-1-(2-methylpropyl)-3-[tris(trimethylsilyl)silylmethylidene]piperidin-2-one
CID 176431225
4-Pentenamide, 4-[(diethylamino)methyl]-N,N-diethyl-2-methylene-
CID 551851
4-Pentenamide, N,N-diethyl-4-methyl-2-methylene-
CID 556830
N-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-6-hexanelactam
CID 11120228
(3E)-1-(2-methylpropyl)-3-[tris(trimethylsilyl)silylmethylidene]piperidin-2-one
CID 11258478
5,5-Dimethyl-3-methylidene-1-propylpiperidin-2-one
CID 14356470

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)piperidin-2-one?
The IUPAC name of (3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)piperidin-2-one (CID 11385532) is (3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)piperidin-2-one.
What is the SMILES notation for (3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)piperidin-2-one?
The canonical SMILES for (3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)piperidin-2-one is CCCC[Sn](/C=C1/CCCN(CC(C)C)C1=O)(CCCC)CCCC.
What is the InChIKey of (3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)piperidin-2-one?
The InChIKey is NFEVYYAVRKIELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO.3C4H9.Sn/c1-8(2)7-11-6-4-5-9(3)10(11)12;3*1-3-4-2;/h3,8H,4-7H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of (3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)piperidin-2-one?
(3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)piperidin-2-one has a molecular weight of 456.30 g/mol, XLogP of 6.58, 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)piperidin-2-one is sourced from PubChem (CID 11385532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).