3-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one

Name: 3-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₂₂N₂O₂ — CID 24792643

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one

SMILESCN1CCCC1CCNc1ccc2c(=O)c3ccccc3oc2c1

InChIInChI=1S/C20H22N2O2/c1-22-12-4-5-15(22)10-11-21-14-8-9-17-19(13-14)24-18-7-3-2-6-16(18)20(17)23/h2-3,6-9,13,15,21H,4-5,10-12H2,1H3

InChIKeyHDPRCSYTSRPGLU-UHFFFAOYSA-N

MW322.41 g/mol

LogP3.84

Rot. Bonds4

About 3-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one

3-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one (PubChem CID 24792643) has the molecular formula C₂₀H₂₂N₂O₂ and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one.

Molecular Properties

Compound Name	3-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one
PubChem CID	24792643
Molecular Formula	C₂₀H₂₂N₂O₂
Molecular Weight	322.41 g/mol
Exact Mass	322.17
IUPAC Name	3-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one
SMILES	CN1CCCC1CCNc1ccc2c(=O)c3ccccc3oc2c1
InChI	InChI=1S/C20H22N2O2/c1-22-12-4-5-15(22)10-11-21-14-8-9-17-19(13-14)24-18-7-3-2-6-16(18)20(17)23/h2-3,6-9,13,15,21H,4-5,10-12H2,1H3
InChIKey	HDPRCSYTSRPGLU-UHFFFAOYSA-N
XLogP	3.84
TPSA	45.48 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.41
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one?

The IUPAC name of 3-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one (CID 24792643) is 3-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one.

What is the SMILES notation for 3-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one?

The canonical SMILES for 3-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one is CN1CCCC1CCNc1ccc2c(=O)c3ccccc3oc2c1.

What is the InChIKey of 3-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one?

The InChIKey is HDPRCSYTSRPGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-22-12-4-5-15(22)10-11-21-14-8-9-17-19(13-14)24-18-7-3-2-6-16(18)20(17)23/h2-3,6-9,13,15,21H,4-5,10-12H2,1H3.

What are the key properties of 3-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one?

3-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one has a molecular weight of 322.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one is sourced from PubChem (CID 24792643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 24792643 — identifiers, structure, computed properties (public domain)

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