3,4-dimethyl-1-[(4-methyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl]pyrrolidine-2,5-dione

C19H29NO4 — CID 70958173

IUPAC3,4-dimethyl-1-[(4-methyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl]pyrrolidine-2,5-dione
SMILESCCCC1(C)OC2C3CC(CN4C(=O)C(C)C(C)C4=O)C(C3)C2O1
InChIInChI=1S/C19H29NO4/c1-5-6-19(4)23-15-12-7-13(14(8-12)16(15)24-19)9-20-17(21)10(2)11(3)18(20)22/h10-16H,5-9H2,1-4H3
InChIKeyRQPVJYRPDZACJP-UHFFFAOYSA-N
MW335.44 g/mol
LogP2.58
Rot. Bonds4

About 3,4-dimethyl-1-[(4-methyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl]pyrrolidine-2,5-dione

3,4-dimethyl-1-[(4-methyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 70958173) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 3,4-dimethyl-1-[(4-methyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-[(4-methyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl]pyrrolidine-2,5-dione
PubChem CID70958173
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name3,4-dimethyl-1-[(4-methyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl]pyrrolidine-2,5-dione
SMILESCCCC1(C)OC2C3CC(CN4C(=O)C(C)C(C)C4=O)C(C3)C2O1
InChIInChI=1S/C19H29NO4/c1-5-6-19(4)23-15-12-7-13(14(8-12)16(15)24-19)9-20-17(21)10(2)11(3)18(20)22/h10-16H,5-9H2,1-4H3
InChIKeyRQPVJYRPDZACJP-UHFFFAOYSA-N
XLogP2.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,4-dimethyl-1-[(4-methyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[(4-methyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-[(4-methyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl]pyrrolidine-2,5-dione (CID 70958173) is 3,4-dimethyl-1-[(4-methyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-[(4-methyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-[(4-methyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl]pyrrolidine-2,5-dione is CCCC1(C)OC2C3CC(CN4C(=O)C(C)C(C)C4=O)C(C3)C2O1.
What is the InChIKey of 3,4-dimethyl-1-[(4-methyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is RQPVJYRPDZACJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-5-6-19(4)23-15-12-7-13(14(8-12)16(15)24-19)9-20-17(21)10(2)11(3)18(20)22/h10-16H,5-9H2,1-4H3.
What are the key properties of 3,4-dimethyl-1-[(4-methyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl]pyrrolidine-2,5-dione?
3,4-dimethyl-1-[(4-methyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 335.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[(4-methyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 70958173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).