2-(3-acetyl-7-fluoroindol-1-yl)-1-pyrrolidin-1-ylethanone

C16H17FN2O2 — CID 117098748

IUPAC2-(3-acetyl-7-fluoroindol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCC(=O)c1cn(CC(=O)N2CCCC2)c2c(F)cccc12
InChIInChI=1S/C16H17FN2O2/c1-11(20)13-9-19(10-15(21)18-7-2-3-8-18)16-12(13)5-4-6-14(16)17/h4-6,9H,2-3,7-8,10H2,1H3
InChIKeyIGNOJBYRDONSRK-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.61
Rot. Bonds3

About 2-(3-acetyl-7-fluoroindol-1-yl)-1-pyrrolidin-1-ylethanone

2-(3-acetyl-7-fluoroindol-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 117098748) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(3-acetyl-7-fluoroindol-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-acetyl-7-fluoroindol-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID117098748
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-(3-acetyl-7-fluoroindol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCC(=O)c1cn(CC(=O)N2CCCC2)c2c(F)cccc12
InChIInChI=1S/C16H17FN2O2/c1-11(20)13-9-19(10-15(21)18-7-2-3-8-18)16-12(13)5-4-6-14(16)17/h4-6,9H,2-3,7-8,10H2,1H3
InChIKeyIGNOJBYRDONSRK-UHFFFAOYSA-N
XLogP2.61
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetyl-7-fluoroindol-1-yl)acetonitrile
CID 117098761
1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone
CID 117098756
1-[1-(2,3-dihydroxypropyl)-7-fluoroindol-3-yl]ethanone
CID 117098768
4-(3-acetyl-7-fluoroindol-1-yl)butanamide
CID 117098786
3-(3-acetyl-7-fluoroindol-1-yl)-N-propan-2-ylpropanamide
CID 117098791
1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone
CID 117098778
1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868
2-(3-acetyl-7-ethylindol-1-yl)acetic acid
CID 6489109
2,2-dimethyl-1-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]propan-1-one
CID 1095445
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
CID 18562384
2-(3-acetyl-7-ethylindol-1-yl)-N-cyclopentylacetamide
CID 2972257
2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 49371096

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-7-fluoroindol-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(3-acetyl-7-fluoroindol-1-yl)-1-pyrrolidin-1-ylethanone (CID 117098748) is 2-(3-acetyl-7-fluoroindol-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(3-acetyl-7-fluoroindol-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(3-acetyl-7-fluoroindol-1-yl)-1-pyrrolidin-1-ylethanone is CC(=O)c1cn(CC(=O)N2CCCC2)c2c(F)cccc12.
What is the InChIKey of 2-(3-acetyl-7-fluoroindol-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is IGNOJBYRDONSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11(20)13-9-19(10-15(21)18-7-2-3-8-18)16-12(13)5-4-6-14(16)17/h4-6,9H,2-3,7-8,10H2,1H3.
What are the key properties of 2-(3-acetyl-7-fluoroindol-1-yl)-1-pyrrolidin-1-ylethanone?
2-(3-acetyl-7-fluoroindol-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 288.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-7-fluoroindol-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 117098748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).