1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one

C16H24N2O2 — CID 134402025

IUPAC1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1CCC(=O)N1CC[C@H](C(C)(C)C)C1
InChIInChI=1S/C16H24N2O2/c1-12-5-6-15(20)18(12)10-8-14(19)17-9-7-13(11-17)16(2,3)4/h5-6,13H,1,7-11H2,2-4H3/t13-/m0/s1
InChIKeyLFHQLVJOKACUJG-ZDUSSCGKSA-N
MW276.38 g/mol
LogP2.18
Rot. Bonds3

About 1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one

1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one (PubChem CID 134402025) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one
PubChem CID134402025
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1CCC(=O)N1CC[C@H](C(C)(C)C)C1
InChIInChI=1S/C16H24N2O2/c1-12-5-6-15(20)18(12)10-8-14(19)17-9-7-13(11-17)16(2,3)4/h5-6,13H,1,7-11H2,2-4H3/t13-/m0/s1
InChIKeyLFHQLVJOKACUJG-ZDUSSCGKSA-N
XLogP2.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-tert-butylpyrrolidin-1-yl)-13-(2-methylidene-5-oxopyrrol-1-yl)tridecane-1,8-dione
CID 157058851
1-(3-tert-butylpyrrolidin-1-yl)-3-sulfanylpropan-1-one
CID 107034817
4-(3-tert-butylpyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 113417042
3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione
CID 134402052
3-tert-butyl-1-[7-[(3R)-3-tert-butylpyrrolidin-1-yl]-7-oxoheptyl]pyrrolidine-2,5-dione
CID 134402061
ethane;1-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]pyrrole-2,5-dione
CID 145076820
1-(3-tert-butylpyrrolidin-1-yl)-3-(1,3-thiazol-5-yl)propan-1-one
CID 146124213
1-[6-oxo-6-[(3R)-3-propan-2-ylpyrrolidin-1-yl]hexyl]pyrrole-2,5-dione
CID 134403317
1-(3-tert-butylpyrrolidin-1-yl)-3-(2-methylpentan-3-ylsulfanyl)propan-1-one
CID 130435661
1-(3-tert-butylpyrrolidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 113417353
2-[2-(3-tert-butylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 104601774
2-(1-aminocyclopentyl)-1-(3-tert-butylpyrrolidin-1-yl)ethanone
CID 113417335

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one?
The IUPAC name of 1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one (CID 134402025) is 1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one.
What is the SMILES notation for 1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one?
The canonical SMILES for 1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one is C=C1C=CC(=O)N1CCC(=O)N1CC[C@H](C(C)(C)C)C1.
What is the InChIKey of 1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one?
The InChIKey is LFHQLVJOKACUJG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-6-15(20)18(12)10-8-14(19)17-9-7-13(11-17)16(2,3)4/h5-6,13H,1,7-11H2,2-4H3/t13-/m0/s1.
What are the key properties of 1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one?
1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one is sourced from PubChem (CID 134402025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).