4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1-cyclopropylpyrrolidin-2-one

C13H17BrN2OS — CID 154743790

IUPAC4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1-cyclopropylpyrrolidin-2-one
SMILESO=C1CC(CNCc2sccc2Br)CN1C1CC1
InChIInChI=1S/C13H17BrN2OS/c14-11-3-4-18-12(11)7-15-6-9-5-13(17)16(8-9)10-1-2-10/h3-4,9-10,15H,1-2,5-8H2
InChIKeyWHAIOPHHASZOLM-UHFFFAOYSA-N
MW329.26 g/mol
LogP2.61
Rot. Bonds5

About 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1-cyclopropylpyrrolidin-2-one

4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1-cyclopropylpyrrolidin-2-one (PubChem CID 154743790) has the molecular formula C13H17BrN2OS and a molecular weight of 329.26 g/mol. Its IUPAC name is 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1-cyclopropylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1-cyclopropylpyrrolidin-2-one
PubChem CID154743790
Molecular FormulaC13H17BrN2OS
Molecular Weight329.26 g/mol
Exact Mass328.02
IUPAC Name4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1-cyclopropylpyrrolidin-2-one
SMILESO=C1CC(CNCc2sccc2Br)CN1C1CC1
InChIInChI=1S/C13H17BrN2OS/c14-11-3-4-18-12(11)7-15-6-9-5-13(17)16(8-9)10-1-2-10/h3-4,9-10,15H,1-2,5-8H2
InChIKeyWHAIOPHHASZOLM-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorocyclohexyl)methanamine
CID 106123711
1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one
CID 154746765
N-[(3-bromothiophen-2-yl)methyl]-1-(3,3-difluorocyclohexyl)methanamine
CID 114223869
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea
CID 75500635
1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea
CID 110747933
(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-methylthiophene-2-carboxylate
CID 71857487
(4R)-1-cyclopentyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 26722502
2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid
CID 62697507
1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea
CID 99820423
2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]pyridine-3-carboxamide
CID 131890985
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110719904

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1-cyclopropylpyrrolidin-2-one?
The IUPAC name of 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1-cyclopropylpyrrolidin-2-one (CID 154743790) is 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1-cyclopropylpyrrolidin-2-one.
What is the SMILES notation for 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1-cyclopropylpyrrolidin-2-one?
The canonical SMILES for 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1-cyclopropylpyrrolidin-2-one is O=C1CC(CNCc2sccc2Br)CN1C1CC1.
What is the InChIKey of 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1-cyclopropylpyrrolidin-2-one?
The InChIKey is WHAIOPHHASZOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2OS/c14-11-3-4-18-12(11)7-15-6-9-5-13(17)16(8-9)10-1-2-10/h3-4,9-10,15H,1-2,5-8H2.
What are the key properties of 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1-cyclopropylpyrrolidin-2-one?
4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1-cyclopropylpyrrolidin-2-one has a molecular weight of 329.26 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1-cyclopropylpyrrolidin-2-one is sourced from PubChem (CID 154743790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).