4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one

C14H17BrN2O — CID 114155204

IUPAC4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one
SMILESO=C1CC(NC2CC(c3ccc(Br)cc3)C2)CN1
InChIInChI=1S/C14H17BrN2O/c15-11-3-1-9(2-4-11)10-5-12(6-10)17-13-7-14(18)16-8-13/h1-4,10,12-13,17H,5-8H2,(H,16,18)
InChIKeyRDDXDHFBHHHRLX-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.17
Rot. Bonds3

About 4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one

4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one (PubChem CID 114155204) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one
PubChem CID114155204
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one
SMILESO=C1CC(NC2CC(c3ccc(Br)cc3)C2)CN1
InChIInChI=1S/C14H17BrN2O/c15-11-3-1-9(2-4-11)10-5-12(6-10)17-13-7-14(18)16-8-13/h1-4,10,12-13,17H,5-8H2,(H,16,18)
InChIKeyRDDXDHFBHHHRLX-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(4-fluorophenyl)cyclobutyl]amino]pyrrolidin-2-one
CID 106181804
4,6-bis(4-bromophenyl)piperidin-2-one
CID 71303235
4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one
CID 106183597
(4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate
CID 142352445
5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one
CID 64654323
4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one
CID 106184042
N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine
CID 63454286
4-(piperidin-4-ylamino)pyrrolidin-2-one
CID 106184253
4-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one
CID 106182038
4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62490790
2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 114154854
4-(4-cyclopropylphenyl)pyrrolidin-2-one
CID 79978170

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one?
The IUPAC name of 4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one (CID 114155204) is 4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one is O=C1CC(NC2CC(c3ccc(Br)cc3)C2)CN1.
What is the InChIKey of 4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one?
The InChIKey is RDDXDHFBHHHRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-11-3-1-9(2-4-11)10-5-12(6-10)17-13-7-14(18)16-8-13/h1-4,10,12-13,17H,5-8H2,(H,16,18).
What are the key properties of 4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one?
4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one has a molecular weight of 309.21 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 114155204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).