(3S)-1-(11-hydroxydodecyl)-3-methylpyrrolidine-2,5-dione

C17H31NO3 — CID 144585641

IUPAC(3S)-1-(11-hydroxydodecyl)-3-methylpyrrolidine-2,5-dione
SMILESCC(O)CCCCCCCCCCN1C(=O)C[C@H](C)C1=O
InChIInChI=1S/C17H31NO3/c1-14-13-16(20)18(17(14)21)12-10-8-6-4-3-5-7-9-11-15(2)19/h14-15,19H,3-13H2,1-2H3/t14-,15?/m0/s1
InChIKeyMVVJFDMUYOODHC-MLCCFXAWSA-N
MW297.44 g/mol
LogP3.27
Rot. Bonds11

About (3S)-1-(11-hydroxydodecyl)-3-methylpyrrolidine-2,5-dione

(3S)-1-(11-hydroxydodecyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 144585641) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is (3S)-1-(11-hydroxydodecyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(11-hydroxydodecyl)-3-methylpyrrolidine-2,5-dione
PubChem CID144585641
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name(3S)-1-(11-hydroxydodecyl)-3-methylpyrrolidine-2,5-dione
SMILESCC(O)CCCCCCCCCCN1C(=O)C[C@H](C)C1=O
InChIInChI=1S/C17H31NO3/c1-14-13-16(20)18(17(14)21)12-10-8-6-4-3-5-7-9-11-15(2)19/h14-15,19H,3-13H2,1-2H3/t14-,15?/m0/s1
InChIKeyMVVJFDMUYOODHC-MLCCFXAWSA-N
XLogP3.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Hydroxy-2-methyldecanoyl)pyrrolidin-2-one
CID 10683430
1-(2-Hydroxyheptyl)pyrrolidine-2,5-dione
CID 10398306
1-(1-Hydroxyhexyl)pyrrolidine-2,5-dione
CID 18781486
1-(8-Hydroxyoctyl)pyrrolidin-2-one
CID 57241755
1-(1-Hydroxyoctadecyl)pyrrolidin-2-one
CID 68112619
1-(1-Hydroxyhexadecan-3-yl)pyrrolidine-2,5-dione
CID 68117149
N-(6-hydroxyhexyl)octadecyl succinimide
CID 68773496
1-(1-Hydroxydecyl)pyrrolidin-2-one
CID 69262098
1-(11-Hydroxyundecyl)pyrrolidine-2,5-dione
CID 70270206
1-Ethyl-1-(10-hydroxydecyl)pyrrolidin-1-ium-2-one bromide
CID 89438935
1-Ethyl-1-(10-hydroxydecyl)pyrrolidin-1-ium-2-one chloride
CID 89439143
1-Ethyl-1-(10-hydroxydecyl)pyrrolidin-1-ium-2-one iodide
CID 89439552

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(11-hydroxydodecyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(11-hydroxydodecyl)-3-methylpyrrolidine-2,5-dione (CID 144585641) is (3S)-1-(11-hydroxydodecyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(11-hydroxydodecyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(11-hydroxydodecyl)-3-methylpyrrolidine-2,5-dione is CC(O)CCCCCCCCCCN1C(=O)C[C@H](C)C1=O.
What is the InChIKey of (3S)-1-(11-hydroxydodecyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is MVVJFDMUYOODHC-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H31NO3/c1-14-13-16(20)18(17(14)21)12-10-8-6-4-3-5-7-9-11-15(2)19/h14-15,19H,3-13H2,1-2H3/t14-,15?/m0/s1.
What are the key properties of (3S)-1-(11-hydroxydodecyl)-3-methylpyrrolidine-2,5-dione?
(3S)-1-(11-hydroxydodecyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 297.44 g/mol, XLogP of 3.27, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(11-hydroxydodecyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 144585641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).