1-(5-methyldecan-5-yl)-2H-pyrrol-5-one

C15H27NO — CID 129167742

IUPAC1-(5-methyldecan-5-yl)-2H-pyrrol-5-one
SMILESCCCCCC(C)(CCCC)N1CC=CC1=O
InChIInChI=1S/C15H27NO/c1-4-6-8-12-15(3,11-7-5-2)16-13-9-10-14(16)17/h9-10H,4-8,11-13H2,1-3H3
InChIKeyHFXWUMKXEOEIIA-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.91
Rot. Bonds8

About 1-(5-methyldecan-5-yl)-2H-pyrrol-5-one

1-(5-methyldecan-5-yl)-2H-pyrrol-5-one (PubChem CID 129167742) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(5-methyldecan-5-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(5-methyldecan-5-yl)-2H-pyrrol-5-one
PubChem CID129167742
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(5-methyldecan-5-yl)-2H-pyrrol-5-one
SMILESCCCCCC(C)(CCCC)N1CC=CC1=O
InChIInChI=1S/C15H27NO/c1-4-6-8-12-15(3,11-7-5-2)16-13-9-10-14(16)17/h9-10H,4-8,11-13H2,1-3H3
InChIKeyHFXWUMKXEOEIIA-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 129839852
1-(2-Ethylhexyl)pyrrole-2,5-dione
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CID 22335680
3-Methyl-1-(2-propylhexyl)pyrrole-2,5-dione
CID 53934079
1-[6-(2,5-Dioxopyrrol-1-yl)-6-methylheptyl]pyrrole-2,5-dione
CID 54225020
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CID 58432955
(E)-4-(dimethylamino)-1-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]but-2-en-1-one
CID 58432971
1-[(4-Ethylcyclohexyl)methyl]pyrrole-2,5-dione
CID 58589797
1-[(3-Ethylcyclohexyl)methyl]pyrrole-2,5-dione
CID 58589799
1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione
CID 66880157
1-[(1S,2S)-2-(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione
CID 66880916
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CID 67129765

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyldecan-5-yl)-2H-pyrrol-5-one?
The IUPAC name of 1-(5-methyldecan-5-yl)-2H-pyrrol-5-one (CID 129167742) is 1-(5-methyldecan-5-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(5-methyldecan-5-yl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(5-methyldecan-5-yl)-2H-pyrrol-5-one is CCCCCC(C)(CCCC)N1CC=CC1=O.
What is the InChIKey of 1-(5-methyldecan-5-yl)-2H-pyrrol-5-one?
The InChIKey is HFXWUMKXEOEIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-6-8-12-15(3,11-7-5-2)16-13-9-10-14(16)17/h9-10H,4-8,11-13H2,1-3H3.
What are the key properties of 1-(5-methyldecan-5-yl)-2H-pyrrol-5-one?
1-(5-methyldecan-5-yl)-2H-pyrrol-5-one has a molecular weight of 237.39 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyldecan-5-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 129167742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).