3-tert-butyl-5-methylidene-1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]pyrrolidin-2-one

C19H32N2O2 — CID 134403327

IUPAC3-tert-butyl-5-methylidene-1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]pyrrolidin-2-one
SMILESC=C1CC(C(C)(C)C)C(=O)N1CCCCC(=O)N1CC[C@H](C)C1
InChIInChI=1S/C19H32N2O2/c1-14-9-11-20(13-14)17(22)8-6-7-10-21-15(2)12-16(18(21)23)19(3,4)5/h14,16H,2,6-13H2,1,3-5H3/t14-,16?/m0/s1
InChIKeyUNTIVLLJQGHXGY-LBAUFKAWSA-N
MW320.48 g/mol
LogP3.43
Rot. Bonds5

About 3-tert-butyl-5-methylidene-1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]pyrrolidin-2-one

3-tert-butyl-5-methylidene-1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]pyrrolidin-2-one (PubChem CID 134403327) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-tert-butyl-5-methylidene-1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-tert-butyl-5-methylidene-1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]pyrrolidin-2-one
PubChem CID134403327
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name3-tert-butyl-5-methylidene-1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]pyrrolidin-2-one
SMILESC=C1CC(C(C)(C)C)C(=O)N1CCCCC(=O)N1CC[C@H](C)C1
InChIInChI=1S/C19H32N2O2/c1-14-9-11-20(13-14)17(22)8-6-7-10-21-15(2)12-16(18(21)23)19(3,4)5/h14,16H,2,6-13H2,1,3-5H3/t14-,16?/m0/s1
InChIKeyUNTIVLLJQGHXGY-LBAUFKAWSA-N
XLogP3.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-Ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one
CID 130413118
3-Tert-butyl-1-[4-(3-tert-butylazetidin-1-yl)pent-4-enyl]pyrrolidine-2,5-dione
CID 132222316
3-Tert-butyl-1-[6-(3-tert-butylazetidin-1-yl)hept-6-enyl]pyrrolidine-2,5-dione
CID 132222658
3-Tert-butyl-1-[6-(3-tert-butylpyrrolidin-1-yl)hept-6-enyl]pyrrolidine-2,5-dione
CID 132222690
3-Tert-butyl-1-[3-(4-tert-butylpiperidin-1-yl)-3-oxopropyl]-5-methylidenepyrrolidin-2-one
CID 134403351
3-tert-butyl-5-methylidene-1-[7-[(3S)-3-methylpyrrolidin-1-yl]-7-oxoheptyl]pyrrolidin-2-one
CID 134403418
1-[6-[3-(2-Methylpentan-2-yl)pyrrolidin-1-yl]hept-6-enyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 134403479
3-Tert-butyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one
CID 134565086
3-Tert-butyl-1-(2,2-dimethylpropyl)-5-methylidenepyrrolidin-2-one
CID 134576796
1-Methyl-5-methylidene-3-(3-methylpentan-3-yl)pyrrolidin-2-one
CID 139456004
1-Butyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one
CID 139456062
1-Methyl-3-(2-methylbutan-2-yl)-5-methylidenepyrrolidin-2-one
CID 139456290

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methylidene-1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]pyrrolidin-2-one?
The IUPAC name of 3-tert-butyl-5-methylidene-1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]pyrrolidin-2-one (CID 134403327) is 3-tert-butyl-5-methylidene-1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]pyrrolidin-2-one.
What is the SMILES notation for 3-tert-butyl-5-methylidene-1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]pyrrolidin-2-one?
The canonical SMILES for 3-tert-butyl-5-methylidene-1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]pyrrolidin-2-one is C=C1CC(C(C)(C)C)C(=O)N1CCCCC(=O)N1CC[C@H](C)C1.
What is the InChIKey of 3-tert-butyl-5-methylidene-1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]pyrrolidin-2-one?
The InChIKey is UNTIVLLJQGHXGY-LBAUFKAWSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-14-9-11-20(13-14)17(22)8-6-7-10-21-15(2)12-16(18(21)23)19(3,4)5/h14,16H,2,6-13H2,1,3-5H3/t14-,16?/m0/s1.
What are the key properties of 3-tert-butyl-5-methylidene-1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]pyrrolidin-2-one?
3-tert-butyl-5-methylidene-1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]pyrrolidin-2-one has a molecular weight of 320.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methylidene-1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]pyrrolidin-2-one is sourced from PubChem (CID 134403327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).