[3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone

C15H22N2O3 — CID 86785879

IUPAC[3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(O)cc2O)C1
InChIInChI=1S/C15H22N2O3/c1-3-16(4-2)11-7-8-17(10-11)15(20)13-6-5-12(18)9-14(13)19/h5-6,9,11,18-19H,3-4,7-8,10H2,1-2H3
InChIKeyXUTPSGOJBOWQIN-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.65
Rot. Bonds4

About [3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone

[3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone (PubChem CID 86785879) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone
PubChem CID86785879
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(O)cc2O)C1
InChIInChI=1S/C15H22N2O3/c1-3-16(4-2)11-7-8-17(10-11)15(20)13-6-5-12(18)9-14(13)19/h5-6,9,11,18-19H,3-4,7-8,10H2,1-2H3
InChIKeyXUTPSGOJBOWQIN-UHFFFAOYSA-N
XLogP1.65
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-2-hydroxyphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63528702
(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168429
(4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63167985
(2,4-dihydroxyphenyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 57440489
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
(2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168602
(2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422462
(2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63165448
4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 103709456
[3-(diethylamino)pyrrolidin-1-yl]-(4-sulfanylphenyl)methanone
CID 107029366
[3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 110441497
[3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 115661606

Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone (CID 86785879) is [3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone.
What is the SMILES notation for [3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The canonical SMILES for [3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone is CCN(CC)C1CCN(C(=O)c2ccc(O)cc2O)C1.
What is the InChIKey of [3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The InChIKey is XUTPSGOJBOWQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-16(4-2)11-7-8-17(10-11)15(20)13-6-5-12(18)9-14(13)19/h5-6,9,11,18-19H,3-4,7-8,10H2,1-2H3.
What are the key properties of [3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone?
[3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone has a molecular weight of 278.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 86785879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).