(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone

C12H15NO4 — CID 106669828

IUPAC(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CC(O)C(O)C1
InChIInChI=1S/C12H15NO4/c1-7-8(3-2-4-9(7)14)12(17)13-5-10(15)11(16)6-13/h2-4,10-11,14-16H,5-6H2,1H3
InChIKeyZQODPUFHTORWTN-UHFFFAOYSA-N
MW237.25 g/mol
LogP-0.12
Rot. Bonds1

About (3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone

(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone (PubChem CID 106669828) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is (3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
PubChem CID106669828
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CC(O)C(O)C1
InChIInChI=1S/C12H15NO4/c1-7-8(3-2-4-9(7)14)12(17)13-5-10(15)11(16)6-13/h2-4,10-11,14-16H,5-6H2,1H3
InChIKeyZQODPUFHTORWTN-UHFFFAOYSA-N
XLogP-0.12
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82829609
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82829048
(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82829933
(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 82828823
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 102937779
(3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 82829162
(3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 82829577
1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile
CID 82829465
[3-(bromomethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830750
[4-(cyclopropylmethyl)piperazin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82829563
2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]benzoic acid
CID 107214692
[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830655

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone?
The IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone (CID 106669828) is (3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for (3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for (3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone is Cc1c(O)cccc1C(=O)N1CC(O)C(O)C1.
What is the InChIKey of (3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone?
The InChIKey is ZQODPUFHTORWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-7-8(3-2-4-9(7)14)12(17)13-5-10(15)11(16)6-13/h2-4,10-11,14-16H,5-6H2,1H3.
What are the key properties of (3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone?
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone has a molecular weight of 237.25 g/mol, XLogP of -0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 106669828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).