(4-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone

C15H15NO2 — CID 82372380

IUPAC(4-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(O)c2ccccc2c1)N1CCCC1
InChIInChI=1S/C15H15NO2/c17-14-10-12(15(18)16-7-3-4-8-16)9-11-5-1-2-6-13(11)14/h1-2,5-6,9-10,17H,3-4,7-8H2
InChIKeyDDYUOPBGPKWGBW-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.78
Rot. Bonds1

About (4-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone

(4-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 82372380) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (4-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID82372380
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(4-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(O)c2ccccc2c1)N1CCCC1
InChIInChI=1S/C15H15NO2/c17-14-10-12(15(18)16-7-3-4-8-16)9-11-5-1-2-6-13(11)14/h1-2,5-6,9-10,17H,3-4,7-8H2
InChIKeyDDYUOPBGPKWGBW-UHFFFAOYSA-N
XLogP2.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-hydroxynaphthalene-2-carbonyl)-N-methylpiperazine-1-sulfonamide
CID 146124672
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone
CID 11572416
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 47029137
(3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone
CID 104627285
2-chloro-1-(4-hydroxynaphthalen-2-yl)ethanone
CID 131852255
(3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol
CID 143923093
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
(2-methylphenyl)-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545755
pyridin-4-yl-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545747
(1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone
CID 59534009

Frequently Asked Questions

What is the IUPAC name of (4-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone (CID 82372380) is (4-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone is O=C(c1cc(O)c2ccccc2c1)N1CCCC1.
What is the InChIKey of (4-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is DDYUOPBGPKWGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-14-10-12(15(18)16-7-3-4-8-16)9-11-5-1-2-6-13(11)14/h1-2,5-6,9-10,17H,3-4,7-8H2.
What are the key properties of (4-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone?
(4-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 241.29 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 82372380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).