1-methyl-6-[(E)-2-tributylstannylethenyl]-3,4-dihydropyridin-2-one

C20H37NOSn — CID 135008470

IUPAC1-methyl-6-[(E)-2-tributylstannylethenyl]-3,4-dihydropyridin-2-one
SMILESCCCC[Sn](/C=C/C1=CCCC(=O)N1C)(CCCC)CCCC
InChIInChI=1S/C8H10NO.3C4H9.Sn/c1-3-7-5-4-6-8(10)9(7)2;3*1-3-4-2;/h1,3,5H,4,6H2,2H3;3*1,3-4H2,2H3;
InChIKeyMXYKULBCMFQUPL-UHFFFAOYSA-N
MW426.23 g/mol
LogP6.07
Rot. Bonds11

About 1-methyl-6-[(E)-2-tributylstannylethenyl]-3,4-dihydropyridin-2-one

1-methyl-6-[(E)-2-tributylstannylethenyl]-3,4-dihydropyridin-2-one (PubChem CID 135008470) has the molecular formula C20H37NOSn and a molecular weight of 426.23 g/mol. Its IUPAC name is 1-methyl-6-[(E)-2-tributylstannylethenyl]-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-methyl-6-[(E)-2-tributylstannylethenyl]-3,4-dihydropyridin-2-one
PubChem CID135008470
Molecular FormulaC20H37NOSn
Molecular Weight426.23 g/mol
Exact Mass427.19
IUPAC Name1-methyl-6-[(E)-2-tributylstannylethenyl]-3,4-dihydropyridin-2-one
SMILESCCCC[Sn](/C=C/C1=CCCC(=O)N1C)(CCCC)CCCC
InChIInChI=1S/C8H10NO.3C4H9.Sn/c1-3-7-5-4-6-8(10)9(7)2;3*1-3-4-2;/h1,3,5H,4,6H2,2H3;3*1,3-4H2,2H3;
InChIKeyMXYKULBCMFQUPL-UHFFFAOYSA-N
XLogP6.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.23
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(4-but-2-en-2-ylhepta-2,4-dienyl)-3-methylidene-N-(4-methylocta-1,2,4-trien-3-yl)pentanamide
CID 123812720
(5Z,8Z,11Z,14Z,17Z)-1-(6-methyl-3,4-dihydro-2H-pyridin-1-yl)icosa-5,8,11,14,17-pentaen-1-one
CID 129157184
6-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3,7-trimethyl-5-[(Z)-prop-1-enyl]-3H-azepin-2-one;ethane
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N,2-dimethyl-N-[(4E,6Z)-3-methylideneocta-4,6-dien-4-yl]butanamide;ethane
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N-cyclohexa-1,5-dien-1-yl-N-methylacetamide;ethane
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ethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
CID 142450288
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(E)-2-tributylstannylethenyl]-3,4-dihydropyridin-2-one?
The IUPAC name of 1-methyl-6-[(E)-2-tributylstannylethenyl]-3,4-dihydropyridin-2-one (CID 135008470) is 1-methyl-6-[(E)-2-tributylstannylethenyl]-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-methyl-6-[(E)-2-tributylstannylethenyl]-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-methyl-6-[(E)-2-tributylstannylethenyl]-3,4-dihydropyridin-2-one is CCCC[Sn](/C=C/C1=CCCC(=O)N1C)(CCCC)CCCC.
What is the InChIKey of 1-methyl-6-[(E)-2-tributylstannylethenyl]-3,4-dihydropyridin-2-one?
The InChIKey is MXYKULBCMFQUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO.3C4H9.Sn/c1-3-7-5-4-6-8(10)9(7)2;3*1-3-4-2;/h1,3,5H,4,6H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of 1-methyl-6-[(E)-2-tributylstannylethenyl]-3,4-dihydropyridin-2-one?
1-methyl-6-[(E)-2-tributylstannylethenyl]-3,4-dihydropyridin-2-one has a molecular weight of 426.23 g/mol, XLogP of 6.07, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(E)-2-tributylstannylethenyl]-3,4-dihydropyridin-2-one is sourced from PubChem (CID 135008470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).