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

C15H23NO3 — CID 103980015

IUPAC2-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1CCC(CO)(N2C(=O)C3CCCC3C2=O)CC1
InChIInChI=1S/C15H23NO3/c1-10-5-7-15(9-17,8-6-10)16-13(18)11-3-2-4-12(11)14(16)19/h10-12,17H,2-9H2,1H3
InChIKeyRJWDIKMHZSFIFO-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.71
Rot. Bonds2

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

2-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 103980015) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID103980015
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1CCC(CO)(N2C(=O)C3CCCC3C2=O)CC1
InChIInChI=1S/C15H23NO3/c1-10-5-7-15(9-17,8-6-10)16-13(18)11-3-2-4-12(11)14(16)19/h10-12,17H,2-9H2,1H3
InChIKeyRJWDIKMHZSFIFO-UHFFFAOYSA-N
XLogP1.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.71
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

2-[1-(hydroxymethyl)cyclohexyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 62520018
2-[4-(hydroxymethyl)oxan-4-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 106299471
2-[1-(hydroxymethyl)cyclopropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114392860
3-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 62525353
1-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-4-methylcyclohexane-1-carbothioamide
CID 103979554
5-ethyl-2-[1-(hydroxymethyl)cyclopentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513168
[4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol
CID 104549467
(3aR,7aS)-2-[1-(hydroxymethyl)cyclopropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 104963199
1-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylpyridin-4-one
CID 79885059
1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione
CID 106299559
2-[1-(hydroxymethyl)-4-methylcyclohexyl]-4H-isoquinoline-1,3-dione
CID 62526206
3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103552347

Frequently Asked Questions

What is the IUPAC name of 2-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 103980015) is 2-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CC1CCC(CO)(N2C(=O)C3CCCC3C2=O)CC1.
What is the InChIKey of 2-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is RJWDIKMHZSFIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-5-7-15(9-17,8-6-10)16-13(18)11-3-2-4-12(11)14(16)19/h10-12,17H,2-9H2,1H3.
What are the key properties of 2-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 265.35 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 103980015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).