7-chloro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione

C15H17ClN2O2 — CID 61494087

IUPAC7-chloro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCN2CCCC2)c2c(Cl)cccc21
InChIInChI=1S/C15H17ClN2O2/c16-12-6-3-5-11-13(12)18(15(20)14(11)19)10-4-9-17-7-1-2-8-17/h3,5-6H,1-2,4,7-10H2
InChIKeyBMVBLTKWYAAJJV-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.36
Rot. Bonds4

About 7-chloro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione

7-chloro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione (PubChem CID 61494087) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 7-chloro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione.

Molecular Properties

Compound Name7-chloro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione
PubChem CID61494087
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name7-chloro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCN2CCCC2)c2c(Cl)cccc21
InChIInChI=1S/C15H17ClN2O2/c16-12-6-3-5-11-13(12)18(15(20)14(11)19)10-4-9-17-7-1-2-8-17/h3,5-6H,1-2,4,7-10H2
InChIKeyBMVBLTKWYAAJJV-UHFFFAOYSA-N
XLogP2.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione?
The IUPAC name of 7-chloro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione (CID 61494087) is 7-chloro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione.
What is the SMILES notation for 7-chloro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione?
The canonical SMILES for 7-chloro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione is O=C1C(=O)N(CCCN2CCCC2)c2c(Cl)cccc21.
What is the InChIKey of 7-chloro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione?
The InChIKey is BMVBLTKWYAAJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-12-6-3-5-11-13(12)18(15(20)14(11)19)10-4-9-17-7-1-2-8-17/h3,5-6H,1-2,4,7-10H2.
What are the key properties of 7-chloro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione?
7-chloro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione has a molecular weight of 292.77 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione is sourced from PubChem (CID 61494087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).