(3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone

C15H21NO3 — CID 103890618

IUPAC(3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone
SMILESCCC1(CC)CCN(C(=O)c2c(O)cccc2O)C1
InChIInChI=1S/C15H21NO3/c1-3-15(4-2)8-9-16(10-15)14(19)13-11(17)6-5-7-12(13)18/h5-7,17-18H,3-4,8-10H2,1-2H3
InChIKeyCUNIDUHAVZWHBQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.75
Rot. Bonds3

About (3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone

(3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone (PubChem CID 103890618) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name(3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone
PubChem CID103890618
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone
SMILESCCC1(CC)CCN(C(=O)c2c(O)cccc2O)C1
InChIInChI=1S/C15H21NO3/c1-3-15(4-2)8-9-16(10-15)14(19)13-11(17)6-5-7-12(13)18/h5-7,17-18H,3-4,8-10H2,1-2H3
InChIKeyCUNIDUHAVZWHBQ-UHFFFAOYSA-N
XLogP2.75
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-N,N-dimethylbenzamide
CID 74500
4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
CID 25058141
4-(1,3-Dihydro-2h-Isoindol-2-Ylcarbonyl)benzene-1,3-Diol
CID 11955507
(5-Tert-butyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 11955553
(S)-N-((1-Ethylpyrrolidin-2-yl)methyl)-2-hydroxy-6-methoxybenzamide
CID 10956830
Diethylsalicylamide
CID 88006
N-Propylsalicylamide
CID 81966
N-(2-Hydroxybenzoyl)pyrrolidine
CID 225361
4-{[2-(2-Methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
CID 15942101
4-[(2-Phenylpyrrolidin-1-yl)carbonyl]benzene-1,3-diol
CID 15942105
N-Ethyl-2-hydroxybenzamide
CID 78354
6-Azaspiro[3.4]octan-6-yl-(2-fluoro-6-hydroxyphenyl)methanone
CID 99625876

Frequently Asked Questions

What is the IUPAC name of (3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone?
The IUPAC name of (3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone (CID 103890618) is (3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone.
What is the SMILES notation for (3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone?
The canonical SMILES for (3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone is CCC1(CC)CCN(C(=O)c2c(O)cccc2O)C1.
What is the InChIKey of (3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone?
The InChIKey is CUNIDUHAVZWHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-15(4-2)8-9-16(10-15)14(19)13-11(17)6-5-7-12(13)18/h5-7,17-18H,3-4,8-10H2,1-2H3.
What are the key properties of (3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone?
(3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone has a molecular weight of 263.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone is sourced from PubChem (CID 103890618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).