2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C16H21BrN2O — CID 115591515

IUPAC2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NC1CCc2cc(Br)ccc21)C(=O)N1CCCC1
InChIInChI=1S/C16H21BrN2O/c1-11(16(20)19-8-2-3-9-19)18-15-7-4-12-10-13(17)5-6-14(12)15/h5-6,10-11,15,18H,2-4,7-9H2,1H3
InChIKeyHYRQOSMUUWOQLD-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.04
Rot. Bonds3

About 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 115591515) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID115591515
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NC1CCc2cc(Br)ccc21)C(=O)N1CCCC1
InChIInChI=1S/C16H21BrN2O/c1-11(16(20)19-8-2-3-9-19)18-15-7-4-12-10-13(17)5-6-14(12)15/h5-6,10-11,15,18H,2-4,7-9H2,1H3
InChIKeyHYRQOSMUUWOQLD-UHFFFAOYSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 115591515) is 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is CC(NC1CCc2cc(Br)ccc21)C(=O)N1CCCC1.
What is the InChIKey of 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is HYRQOSMUUWOQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-11(16(20)19-8-2-3-9-19)18-15-7-4-12-10-13(17)5-6-14(12)15/h5-6,10-11,15,18H,2-4,7-9H2,1H3.
What are the key properties of 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 337.26 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 115591515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).