1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylbutan-1-one

C17H23NO — CID 132989234

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C(=O)c1ccc2c(c1)CCC2)N1CCCC1
InChIInChI=1S/C17H23NO/c1-2-16(18-10-3-4-11-18)17(19)15-9-8-13-6-5-7-14(13)12-15/h8-9,12,16H,2-7,10-11H2,1H3
InChIKeyHLBROWUOAAQHCM-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.23
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylbutan-1-one

1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylbutan-1-one (PubChem CID 132989234) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylbutan-1-one
PubChem CID132989234
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C(=O)c1ccc2c(c1)CCC2)N1CCCC1
InChIInChI=1S/C17H23NO/c1-2-16(18-10-3-4-11-18)17(19)15-9-8-13-6-5-7-14(13)12-15/h8-9,12,16H,2-7,10-11H2,1H3
InChIKeyHLBROWUOAAQHCM-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylbutan-1-one (CID 132989234) is 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylbutan-1-one is CCC(C(=O)c1ccc2c(c1)CCC2)N1CCCC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylbutan-1-one?
The InChIKey is HLBROWUOAAQHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-16(18-10-3-4-11-18)17(19)15-9-8-13-6-5-7-14(13)12-15/h8-9,12,16H,2-7,10-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylbutan-1-one?
1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylbutan-1-one has a molecular weight of 257.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 132989234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).