1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpyrrolidine-2,5-dione

C12H19NO3 — CID 115363188

IUPAC1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC2(CO)CCCC2)C1=O
InChIInChI=1S/C12H19NO3/c1-9-6-10(15)13(11(9)16)7-12(8-14)4-2-3-5-12/h9,14H,2-8H2,1H3
InChIKeyCAOUJYAGQATJPB-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.93
Rot. Bonds3

About 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpyrrolidine-2,5-dione

1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 115363188) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpyrrolidine-2,5-dione
PubChem CID115363188
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC2(CO)CCCC2)C1=O
InChIInChI=1S/C12H19NO3/c1-9-6-10(15)13(11(9)16)7-12(8-14)4-2-3-5-12/h9,14H,2-8H2,1H3
InChIKeyCAOUJYAGQATJPB-UHFFFAOYSA-N
XLogP0.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.93
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-[[3-(methoxymethyl)piperidin-3-yl]methyl]-3-methylpyrrolidine-2,5-dione
CID 114280953
2-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114392848
4-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 115363183
3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 115455509
1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpyrrolidine-2,5-dione
CID 66475155
2-[[1-(hydroxymethyl)cyclopentyl]methyl]isoindole-1,3-dione
CID 71756779
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methanol
CID 79184222
CID 59941556
CID 59941556
1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione
CID 104751309
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
CID 79183947
1-butyl-3-methylpyrrolidine-2,5-dione
CID 15757781
(3R)-3-methyl-1-prop-2-enylpyrrolidine-2,5-dione
CID 15757783

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpyrrolidine-2,5-dione (CID 115363188) is 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(CC2(CO)CCCC2)C1=O.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is CAOUJYAGQATJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-6-10(15)13(11(9)16)7-12(8-14)4-2-3-5-12/h9,14H,2-8H2,1H3.
What are the key properties of 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpyrrolidine-2,5-dione?
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 225.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 115363188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).