1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione

C14H13FN2O2 — CID 113208548

IUPAC1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCC1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C14H13FN2O2/c15-9-3-4-10-11(8-16-12(10)7-9)13(18)14(19)17-5-1-2-6-17/h3-4,7-8,16H,1-2,5-6H2
InChIKeyXHVFLQJITBVUQV-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.11
Rot. Bonds2

About 1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione

1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione (PubChem CID 113208548) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
PubChem CID113208548
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCC1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C14H13FN2O2/c15-9-3-4-10-11(8-16-12(10)7-9)13(18)14(19)17-5-1-2-6-17/h3-4,7-8,16H,1-2,5-6H2
InChIKeyXHVFLQJITBVUQV-UHFFFAOYSA-N
XLogP2.11
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
CID 113206230
(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206150
1-(6-fluoro-1H-indol-3-yl)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethane-1,2-dione
CID 166251068
1-(5-fluoro-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 44595830
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione
CID 113208636
1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
CID 113208208
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 7087091
1-(5-fluoro-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 113208063
1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 110856306
1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione
CID 82119806
(3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide
CID 97260094
1-(5-fluoro-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 113208080

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione?
The IUPAC name of 1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione (CID 113208548) is 1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione is O=C(C(=O)N1CCCC1)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione?
The InChIKey is XHVFLQJITBVUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-9-3-4-10-11(8-16-12(10)7-9)13(18)14(19)17-5-1-2-6-17/h3-4,7-8,16H,1-2,5-6H2.
What are the key properties of 1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione?
1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione has a molecular weight of 260.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione is sourced from PubChem (CID 113208548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).