(2-oxo-2-pyrrolidin-1-ylethyl) 9H-xanthene-9-carboxylate

C20H19NO4 — CID 2573743

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 9H-xanthene-9-carboxylate
SMILESO=C(OCC(=O)N1CCCC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H19NO4/c22-18(21-11-5-6-12-21)13-24-20(23)19-14-7-1-3-9-16(14)25-17-10-4-2-8-15(17)19/h1-4,7-10,19H,5-6,11-13H2
InChIKeyFDSAJOLPVZWETH-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.09
Rot. Bonds3

About (2-oxo-2-pyrrolidin-1-ylethyl) 9H-xanthene-9-carboxylate

(2-oxo-2-pyrrolidin-1-ylethyl) 9H-xanthene-9-carboxylate (PubChem CID 2573743) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 9H-xanthene-9-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 9H-xanthene-9-carboxylate
PubChem CID2573743
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 9H-xanthene-9-carboxylate
SMILESO=C(OCC(=O)N1CCCC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H19NO4/c22-18(21-11-5-6-12-21)13-24-20(23)19-14-7-1-3-9-16(14)25-17-10-4-2-8-15(17)19/h1-4,7-10,19H,5-6,11-13H2
InChIKeyFDSAJOLPVZWETH-UHFFFAOYSA-N
XLogP3.09
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 3964401
cyclohexylmethyl 9H-xanthene-9-carboxylate
CID 7716785
[2-oxo-2-(prop-2-ynylamino)ethyl] 9H-xanthene-9-carboxylate
CID 9201550
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 4677171
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 9H-xanthene-9-carboxylate
CID 7706746
3-iodopropyl 9H-xanthene-9-carboxylate
CID 59786786
[2-oxo-2-(pentan-3-ylamino)ethyl] 9H-xanthene-9-carboxylate
CID 5023194
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 16569475
1,4,5,6-tetrahydropyrimidin-2-ylmethyl 9H-xanthene-9-carboxylate
CID 134115192
[3-(hydroxymethyl)azetidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 121105783
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 8014002
3-(dimethylamino)propyl 9H-xanthene-9-carboxylate
CID 661681

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 9H-xanthene-9-carboxylate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 9H-xanthene-9-carboxylate (CID 2573743) is (2-oxo-2-pyrrolidin-1-ylethyl) 9H-xanthene-9-carboxylate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 9H-xanthene-9-carboxylate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 9H-xanthene-9-carboxylate is O=C(OCC(=O)N1CCCC1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 9H-xanthene-9-carboxylate?
The InChIKey is FDSAJOLPVZWETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-18(21-11-5-6-12-21)13-24-20(23)19-14-7-1-3-9-16(14)25-17-10-4-2-8-15(17)19/h1-4,7-10,19H,5-6,11-13H2.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 9H-xanthene-9-carboxylate?
(2-oxo-2-pyrrolidin-1-ylethyl) 9H-xanthene-9-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 9H-xanthene-9-carboxylate is sourced from PubChem (CID 2573743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).