1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-pyrrolidin-2-ylpropan-2-one

C15H18ClNO2 — CID 116560871

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-pyrrolidin-2-ylpropan-2-one
SMILESO=C(Cc1cc(Cl)cc2c1OCC2)CC1CCCN1
InChIInChI=1S/C15H18ClNO2/c16-12-6-10-3-5-19-15(10)11(7-12)8-14(18)9-13-2-1-4-17-13/h6-7,13,17H,1-5,8-9H2
InChIKeyFBCMHSSYDYGDRE-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.53
Rot. Bonds4

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-pyrrolidin-2-ylpropan-2-one

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-pyrrolidin-2-ylpropan-2-one (PubChem CID 116560871) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-pyrrolidin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-pyrrolidin-2-ylpropan-2-one
PubChem CID116560871
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-pyrrolidin-2-ylpropan-2-one
SMILESO=C(Cc1cc(Cl)cc2c1OCC2)CC1CCCN1
InChIInChI=1S/C15H18ClNO2/c16-12-6-10-3-5-19-15(10)11(7-12)8-14(18)9-13-2-1-4-17-13/h6-7,13,17H,1-5,8-9H2
InChIKeyFBCMHSSYDYGDRE-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-piperidin-2-ylbutan-2-one
CID 116563807
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)propan-2-one
CID 116562535
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116575981
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)decan-2-one
CID 115796413
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-(propan-2-ylamino)pentan-2-one
CID 116558182
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)but-3-en-2-one
CID 103453608
1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560934
(2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 66519243
1-(6-azaspiro[2.5]octan-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116573104
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,2-dimethylcyclohexyl)ethanone
CID 107187399
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-cycloheptylpropan-2-one
CID 115796676
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569415

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-pyrrolidin-2-ylpropan-2-one?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-pyrrolidin-2-ylpropan-2-one (CID 116560871) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-pyrrolidin-2-ylpropan-2-one.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-pyrrolidin-2-ylpropan-2-one?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-pyrrolidin-2-ylpropan-2-one is O=C(Cc1cc(Cl)cc2c1OCC2)CC1CCCN1.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-pyrrolidin-2-ylpropan-2-one?
The InChIKey is FBCMHSSYDYGDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c16-12-6-10-3-5-19-15(10)11(7-12)8-14(18)9-13-2-1-4-17-13/h6-7,13,17H,1-5,8-9H2.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-pyrrolidin-2-ylpropan-2-one?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-pyrrolidin-2-ylpropan-2-one has a molecular weight of 279.77 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-pyrrolidin-2-ylpropan-2-one is sourced from PubChem (CID 116560871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).