4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one

C12H21NO3 — CID 107507877

IUPAC4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one
SMILESCOCC(=O)CN1CC(C(C)(C)C)CC1=O
InChIInChI=1S/C12H21NO3/c1-12(2,3)9-5-11(15)13(6-9)7-10(14)8-16-4/h9H,5-8H2,1-4H3
InChIKeyHGQMFVDBNRKMKB-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.10
Rot. Bonds4

About 4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one

4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one (PubChem CID 107507877) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one
PubChem CID107507877
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one
SMILESCOCC(=O)CN1CC(C(C)(C)C)CC1=O
InChIInChI=1S/C12H21NO3/c1-12(2,3)9-5-11(15)13(6-9)7-10(14)8-16-4/h9H,5-8H2,1-4H3
InChIKeyHGQMFVDBNRKMKB-UHFFFAOYSA-N
XLogP1.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(4-tert-butyl-2-oxopyrrolidin-1-yl)-3-oxobutanoate
CID 104512278
methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate
CID 175386535
4-tert-butyl-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512255
4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512277
4-tert-butyl-1-[2-(2,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512276
N-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide
CID 104510942
1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one
CID 104511523
1-(3-bromo-2-methylpropyl)-4-tert-butylpyrrolidin-2-one
CID 104511319
3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide
CID 104512871
1-(3-methoxy-2-oxopropyl)piperidin-2-one
CID 107507681
4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one
CID 104512227
1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one
CID 104511049

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one?
The IUPAC name of 4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one (CID 107507877) is 4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one?
The canonical SMILES for 4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one is COCC(=O)CN1CC(C(C)(C)C)CC1=O.
What is the InChIKey of 4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one?
The InChIKey is HGQMFVDBNRKMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,3)9-5-11(15)13(6-9)7-10(14)8-16-4/h9H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one?
4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one has a molecular weight of 227.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one is sourced from PubChem (CID 107507877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).