1-[[4-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione;propane

C19H37NO3 — CID 142380178

IUPAC1-[[4-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione;propane
SMILESCC1CC(=O)N(CC2CCC(CO)CC2)C1=O.CCC.CCC
InChIInChI=1S/C13H21NO3.2C3H8/c1-9-6-12(16)14(13(9)17)7-10-2-4-11(8-15)5-3-10;2*1-3-2/h9-11,15H,2-8H2,1H3;2*3H2,1-2H3
InChIKeyZGQGLCHLZZNZFF-UHFFFAOYSA-N
MW327.51 g/mol
LogP4.01
Rot. Bonds3

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

1-[[4-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione;propane (PubChem CID 142380178) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is 1-[[4-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione;propane.

Molecular Properties

Compound Name1-[[4-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione;propane
PubChem CID142380178
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Name1-[[4-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione;propane
SMILESCC1CC(=O)N(CC2CCC(CO)CC2)C1=O.CCC.CCC
InChIInChI=1S/C13H21NO3.2C3H8/c1-9-6-12(16)14(13(9)17)7-10-2-4-11(8-15)5-3-10;2*1-3-2/h9-11,15H,2-8H2,1H3;2*3H2,1-2H3
InChIKeyZGQGLCHLZZNZFF-UHFFFAOYSA-N
XLogP4.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.01
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

N-(6-hydroxyhexyl)octadecyl succinimide
CID 68773496
1-[Cyclohexyl(hydroxy)methyl]pyrrolidin-2-one
CID 69469375
[4-(Hydroxymethyl)cyclohexyl]-1-pyrrolidinylmethanone
CID 117562627
1-[[4-(1-Hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 118667729
1-[[4-(1-Hydroxyethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 142388502
(3S)-1-(11-hydroxydodecyl)-3-methylpyrrolidine-2,5-dione
CID 144585641
3-(Disulfanyl)-1-[[4-(1-hydroxy-2-methylpentyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 156188286
1-Methylpyrrolidin-2-one;2-octyldodecan-1-ol
CID 162237507
1-[(2-Hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione
CID 64911475
1-[(2-Hydroxycyclohexyl)methyl]pyrrolidine-2,5-dione
CID 64912099
1-[(2-Hydroxycyclohexyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65297479
1-[[2-(Hydroxymethyl)cyclohexyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65902640

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione;propane?
The IUPAC name of 1-[[4-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione;propane (CID 142380178) is 1-[[4-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione;propane.
What is the SMILES notation for 1-[[4-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione;propane?
The canonical SMILES for 1-[[4-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione;propane is CC1CC(=O)N(CC2CCC(CO)CC2)C1=O.CCC.CCC.
What is the InChIKey of 1-[[4-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione;propane?
The InChIKey is ZGQGLCHLZZNZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3.2C3H8/c1-9-6-12(16)14(13(9)17)7-10-2-4-11(8-15)5-3-10;2*1-3-2/h9-11,15H,2-8H2,1H3;2*3H2,1-2H3.
What are the key properties of 1-[[4-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione;propane?
1-[[4-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione;propane has a molecular weight of 327.51 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrrolidine-2,5-dione;propane is sourced from PubChem (CID 142380178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).