2-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C15H23NO3 — CID 114392848

IUPAC2-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1CC2C(=O)N(CC3(CO)CCCC3)C(=O)C2C1
InChIInChI=1S/C15H23NO3/c1-10-6-11-12(7-10)14(19)16(13(11)18)8-15(9-17)4-2-3-5-15/h10-12,17H,2-9H2,1H3
InChIKeyLVVGWPMRCBZHCS-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.57
Rot. Bonds3

About 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114392848) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114392848
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1CC2C(=O)N(CC3(CO)CCCC3)C(=O)C2C1
InChIInChI=1S/C15H23NO3/c1-10-6-11-12(7-10)14(19)16(13(11)18)8-15(9-17)4-2-3-5-15/h10-12,17H,2-9H2,1H3
InChIKeyLVVGWPMRCBZHCS-UHFFFAOYSA-N
XLogP1.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
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

4-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 115363183
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 115363188
2-[[4-(bromomethyl)oxan-4-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512935
2-[1-(hydroxymethyl)cyclopropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114392860
2-[[1-(hydroxymethyl)cyclopentyl]methyl]isoindole-1,3-dione
CID 71756779
1-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 113310395
[1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanol
CID 55055320
2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114008911
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methanol
CID 79184222
2-(2-bromoethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512941
2-acetamido-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanoic acid
CID 114512718
3-methyl-2-[(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]butanoic acid
CID 114391616

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114392848) is 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CC1CC2C(=O)N(CC3(CO)CCCC3)C(=O)C2C1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is LVVGWPMRCBZHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-6-11-12(7-10)14(19)16(13(11)18)8-15(9-17)4-2-3-5-15/h10-12,17H,2-9H2,1H3.
What are the key properties of 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 265.35 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 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114392848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).