ethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C10H19NO2 — CID 170724271

IUPACethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC.CC(C)C1CC(=O)N(C)C1=O
InChIInChI=1S/C8H13NO2.C2H6/c1-5(2)6-4-7(10)9(3)8(6)11;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyKHJUPHOKSKPPDX-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.67
Rot. Bonds1

About ethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione

ethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 170724271) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Nameethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID170724271
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC.CC(C)C1CC(=O)N(C)C1=O
InChIInChI=1S/C8H13NO2.C2H6/c1-5(2)6-4-7(10)9(3)8(6)11;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyKHJUPHOKSKPPDX-UHFFFAOYSA-N
XLogP1.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of ethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 170724271) is ethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for ethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for ethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione is CC.CC(C)C1CC(=O)N(C)C1=O.
What is the InChIKey of ethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is KHJUPHOKSKPPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.C2H6/c1-5(2)6-4-7(10)9(3)8(6)11;1-2/h5-6H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
ethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 185.27 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 170724271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).