(1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone

C15H15NO3 — CID 62918604

IUPAC(1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2ccccc2c1O)N1CCC(O)C1
InChIInChI=1S/C15H15NO3/c17-11-7-8-16(9-11)15(19)13-6-5-10-3-1-2-4-12(10)14(13)18/h1-6,11,17-18H,7-9H2
InChIKeyRFQKWWIIOHRSAD-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.75
Rot. Bonds1

About (1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone

(1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 62918604) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID62918604
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2ccccc2c1O)N1CCC(O)C1
InChIInChI=1S/C15H15NO3/c17-11-7-8-16(9-11)15(19)13-6-5-10-3-1-2-4-12(10)14(13)18/h1-6,11,17-18H,7-9H2
InChIKeyRFQKWWIIOHRSAD-UHFFFAOYSA-N
XLogP1.75
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43392987
(1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426440
(3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one
CID 129395818
2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid
CID 64604771
(3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 20772795
(1-hydroxynaphthalen-2-yl)-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 133121038
(3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone
CID 55211972
8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid
CID 107214240
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(1-hydroxynaphthalen-2-yl)methanone
CID 102788284
[2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217222
[2-(bromomethyl)pyrrolidin-1-yl]-(1-hydroxynaphthalen-2-yl)methanone
CID 80678334

Frequently Asked Questions

What is the IUPAC name of (1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone (CID 62918604) is (1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone is O=C(c1ccc2ccccc2c1O)N1CCC(O)C1.
What is the InChIKey of (1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is RFQKWWIIOHRSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-11-7-8-16(9-11)15(19)13-6-5-10-3-1-2-4-12(10)14(13)18/h1-6,11,17-18H,7-9H2.
What are the key properties of (1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone?
(1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 257.29 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 62918604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).