1-[(2-hydroxycyclohexyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C15H25NO3 — CID 64910661

IUPAC1-[(2-hydroxycyclohexyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(CC2CCCCC2O)C1=O
InChIInChI=1S/C15H25NO3/c1-10(2)15(3)8-13(18)16(14(15)19)9-11-6-4-5-7-12(11)17/h10-12,17H,4-9H2,1-3H3
InChIKeyNOTUOTQDQBJYPY-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.96
Rot. Bonds3

About 1-[(2-hydroxycyclohexyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-[(2-hydroxycyclohexyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 64910661) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(2-hydroxycyclohexyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2-hydroxycyclohexyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID64910661
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[(2-hydroxycyclohexyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(CC2CCCCC2O)C1=O
InChIInChI=1S/C15H25NO3/c1-10(2)15(3)8-13(18)16(14(15)19)9-11-6-4-5-7-12(11)17/h10-12,17H,4-9H2,1-3H3
InChIKeyNOTUOTQDQBJYPY-UHFFFAOYSA-N
XLogP1.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.96
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-[[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
1-(4-Hydroxycyclohexyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 61208687
1-(2-Hydroxycyclohexyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 62360184
1-(3-Hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3,4,4-trimethylpentan-1-one
CID 63832945
1-[(1-Hydroxycyclohexyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 64295960
1-(3-Hydroxybutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 64910662
2-[(2-Hydroxycyclohexyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 64911069
3,3-Diethyl-1-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2,5-dione
CID 64911070
3-[(2-Hydroxycyclohexyl)methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64911072
1-[(2-Hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 64911273
1-[(2-Hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione
CID 64911475

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 64910661) is 1-[(2-hydroxycyclohexyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2-hydroxycyclohexyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2-hydroxycyclohexyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1(C)CC(=O)N(CC2CCCCC2O)C1=O.
What is the InChIKey of 1-[(2-hydroxycyclohexyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is NOTUOTQDQBJYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10(2)15(3)8-13(18)16(14(15)19)9-11-6-4-5-7-12(11)17/h10-12,17H,4-9H2,1-3H3.
What are the key properties of 1-[(2-hydroxycyclohexyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-[(2-hydroxycyclohexyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 267.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclohexyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 64910661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).