1-tert-butyl-5,5-dimethylpyrrolidin-2-one;bis(1-tert-butyl-3-methylimidazolidin-2-one);1-tert-butylpyrrolidin-2-one

C34H66N6O4 — CID 158757312

IUPAC1-tert-butyl-5,5-dimethylpyrrolidin-2-one;bis(1-tert-butyl-3-methylimidazolidin-2-one);1-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)N1C(=O)CCC1(C)C.CC(C)(C)N1CCCC1=O.CN1CCN(C(C)(C)C)C1=O.CN1CCN(C(C)(C)C)C1=O
InChIInChI=1S/C10H19NO.2C8H16N2O.C8H15NO/c1-9(2,3)11-8(12)6-7-10(11,4)5;2*1-8(2,3)10-6-5-9(4)7(10)11;1-8(2,3)9-6-4-5-7(9)10/h6-7H2,1-5H3;2*5-6H2,1-4H3;4-6H2,1-3H3
InChIKeyIOFRQMCPWVHSPK-UHFFFAOYSA-N
MW622.94 g/mol
LogP5.90
Rot. Bonds

About 1-tert-butyl-5,5-dimethylpyrrolidin-2-one;bis(1-tert-butyl-3-methylimidazolidin-2-one);1-tert-butylpyrrolidin-2-one

1-tert-butyl-5,5-dimethylpyrrolidin-2-one;bis(1-tert-butyl-3-methylimidazolidin-2-one);1-tert-butylpyrrolidin-2-one (PubChem CID 158757312) has the molecular formula C34H66N6O4 and a molecular weight of 622.94 g/mol. Its IUPAC name is 1-tert-butyl-5,5-dimethylpyrrolidin-2-one;bis(1-tert-butyl-3-methylimidazolidin-2-one);1-tert-butylpyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-5,5-dimethylpyrrolidin-2-one;bis(1-tert-butyl-3-methylimidazolidin-2-one);1-tert-butylpyrrolidin-2-one
PubChem CID158757312
Molecular FormulaC34H66N6O4
Molecular Weight622.94 g/mol
Exact Mass622.51
IUPAC Name1-tert-butyl-5,5-dimethylpyrrolidin-2-one;bis(1-tert-butyl-3-methylimidazolidin-2-one);1-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)N1C(=O)CCC1(C)C.CC(C)(C)N1CCCC1=O.CN1CCN(C(C)(C)C)C1=O.CN1CCN(C(C)(C)C)C1=O
InChIInChI=1S/C10H19NO.2C8H16N2O.C8H15NO/c1-9(2,3)11-8(12)6-7-10(11,4)5;2*1-8(2,3)10-6-5-9(4)7(10)11;1-8(2,3)9-6-4-5-7(9)10/h6-7H2,1-5H3;2*5-6H2,1-4H3;4-6H2,1-3H3
InChIKeyIOFRQMCPWVHSPK-UHFFFAOYSA-N
XLogP5.90
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.94
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bis(1,3-dimethylimidazolidin-2-one);1-methylpyrrolidin-2-one;1,5,5-trimethylpyrrolidin-2-one
CID 157772233
1-Tert-butyl-5,5-dimethylpyrrolidin-2-one;bis(1-tert-butyl-3-methylimidazolidin-2-one);1-tert-butylpyrrolidin-2-one;methane
CID 160104550
Ethane;3-methyl-1-propan-2-ylpiperidine;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one
CID 160264936
1-Tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane
CID 160681254
1-Tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one)
CID 167559472

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5,5-dimethylpyrrolidin-2-one;bis(1-tert-butyl-3-methylimidazolidin-2-one);1-tert-butylpyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-5,5-dimethylpyrrolidin-2-one;bis(1-tert-butyl-3-methylimidazolidin-2-one);1-tert-butylpyrrolidin-2-one (CID 158757312) is 1-tert-butyl-5,5-dimethylpyrrolidin-2-one;bis(1-tert-butyl-3-methylimidazolidin-2-one);1-tert-butylpyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-5,5-dimethylpyrrolidin-2-one;bis(1-tert-butyl-3-methylimidazolidin-2-one);1-tert-butylpyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-5,5-dimethylpyrrolidin-2-one;bis(1-tert-butyl-3-methylimidazolidin-2-one);1-tert-butylpyrrolidin-2-one is CC(C)(C)N1C(=O)CCC1(C)C.CC(C)(C)N1CCCC1=O.CN1CCN(C(C)(C)C)C1=O.CN1CCN(C(C)(C)C)C1=O.
What is the InChIKey of 1-tert-butyl-5,5-dimethylpyrrolidin-2-one;bis(1-tert-butyl-3-methylimidazolidin-2-one);1-tert-butylpyrrolidin-2-one?
The InChIKey is IOFRQMCPWVHSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.2C8H16N2O.C8H15NO/c1-9(2,3)11-8(12)6-7-10(11,4)5;2*1-8(2,3)10-6-5-9(4)7(10)11;1-8(2,3)9-6-4-5-7(9)10/h6-7H2,1-5H3;2*5-6H2,1-4H3;4-6H2,1-3H3.
What are the key properties of 1-tert-butyl-5,5-dimethylpyrrolidin-2-one;bis(1-tert-butyl-3-methylimidazolidin-2-one);1-tert-butylpyrrolidin-2-one?
1-tert-butyl-5,5-dimethylpyrrolidin-2-one;bis(1-tert-butyl-3-methylimidazolidin-2-one);1-tert-butylpyrrolidin-2-one has a molecular weight of 622.94 g/mol, XLogP of 5.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5,5-dimethylpyrrolidin-2-one;bis(1-tert-butyl-3-methylimidazolidin-2-one);1-tert-butylpyrrolidin-2-one is sourced from PubChem (CID 158757312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).