1-[[4-(1-hydroxyethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione

C14H23NO3 — CID 142388502

IUPAC1-[[4-(1-hydroxyethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC2CCC(C(C)O)CC2)C1=O
InChIInChI=1S/C14H23NO3/c1-9-7-13(17)15(14(9)18)8-11-3-5-12(6-4-11)10(2)16/h9-12,16H,3-8H2,1-2H3
InChIKeyQVADMTYUAYBWPX-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.57
Rot. Bonds3

About 1-[[4-(1-hydroxyethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione

1-[[4-(1-hydroxyethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 142388502) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[[4-(1-hydroxyethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-(1-hydroxyethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione
PubChem CID142388502
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[[4-(1-hydroxyethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC2CCC(C(C)O)CC2)C1=O
InChIInChI=1S/C14H23NO3/c1-9-7-13(17)15(14(9)18)8-11-3-5-12(6-4-11)10(2)16/h9-12,16H,3-8H2,1-2H3
InChIKeyQVADMTYUAYBWPX-UHFFFAOYSA-N
XLogP1.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[Cyclohexyl(hydroxy)methyl]pyrrolidin-2-one
CID 69469375
1-[[4-(1-Hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 118667729
1-[[4-(Hydroxymethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione;propane
CID 142380178
(3S)-1-(11-hydroxydodecyl)-3-methylpyrrolidine-2,5-dione
CID 144585641
1-(6-Hydroxyheptyl)-3-methylpyrrolidine-2,5-dione
CID 149075034
3-(Disulfanyl)-1-[[4-(1-hydroxy-2-methylpentyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 156188286
8-(Hydroxymethyl)-2-propan-2-yl-2-azaspiro[4.5]decan-1-one
CID 156340034
1-[[4-(1-Hydroxyethyl)cyclohexyl]methyl]-3-methylsulfanylpyrrolidine-2,5-dione
CID 166804920
1-[[4-(1-Hydroxy-2-methylpropyl)cyclohexyl]methyl]-3-propan-2-ylsulfanylpyrrolidine-2,5-dione
CID 170411990
1-Ethyl-3-(6-hydroxyhexyl)pyrrolidine-2,5-dione
CID 12122755
1-[(2-Hydroxycyclohexyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 64910661
3,3-Diethyl-1-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2,5-dione
CID 64911070

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-hydroxyethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-(1-hydroxyethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione (CID 142388502) is 1-[[4-(1-hydroxyethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-(1-hydroxyethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-(1-hydroxyethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(CC2CCC(C(C)O)CC2)C1=O.
What is the InChIKey of 1-[[4-(1-hydroxyethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is QVADMTYUAYBWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9-7-13(17)15(14(9)18)8-11-3-5-12(6-4-11)10(2)16/h9-12,16H,3-8H2,1-2H3.
What are the key properties of 1-[[4-(1-hydroxyethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione?
1-[[4-(1-hydroxyethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 253.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-hydroxyethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 142388502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).