1-[[4-(1-hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione

C17H29NO3 — CID 118667729

IUPAC1-[[4-(1-hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)CC(O)C1CCC(CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C17H29NO3/c1-17(2,3)10-14(19)13-6-4-12(5-7-13)11-18-15(20)8-9-16(18)21/h12-14,19H,4-11H2,1-3H3
InChIKeyTWABKZYJTMKKEL-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.74
Rot. Bonds4

About 1-[[4-(1-hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione

1-[[4-(1-hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione (PubChem CID 118667729) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[[4-(1-hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-(1-hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
PubChem CID118667729
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[[4-(1-hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)CC(O)C1CCC(CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C17H29NO3/c1-17(2,3)10-14(19)13-6-4-12(5-7-13)11-18-15(20)8-9-16(18)21/h12-14,19H,4-11H2,1-3H3
InChIKeyTWABKZYJTMKKEL-UHFFFAOYSA-N
XLogP2.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-(1-hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione (CID 118667729) is 1-[[4-(1-hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-(1-hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-(1-hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione is CC(C)(C)CC(O)C1CCC(CN2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[[4-(1-hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is TWABKZYJTMKKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-17(2,3)10-14(19)13-6-4-12(5-7-13)11-18-15(20)8-9-16(18)21/h12-14,19H,4-11H2,1-3H3.
What are the key properties of 1-[[4-(1-hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione?
1-[[4-(1-hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 295.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 118667729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).