(3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone

C21H19NO — CID 140969221

IUPAC(3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(c2ccc3ccccc3c2)C1
InChIInChI=1S/C21H19NO/c23-21(17-7-2-1-3-8-17)22-13-12-20(15-22)19-11-10-16-6-4-5-9-18(16)14-19/h1-11,14,20H,12-13,15H2
InChIKeySAMAPEAASOGVCL-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.47
Rot. Bonds2

About (3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone

(3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone (PubChem CID 140969221) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is (3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone
PubChem CID140969221
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name(3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(c2ccc3ccccc3c2)C1
InChIInChI=1S/C21H19NO/c23-21(17-7-2-1-3-8-17)22-13-12-20(15-22)19-11-10-16-6-4-5-9-18(16)14-19/h1-11,14,20H,12-13,15H2
InChIKeySAMAPEAASOGVCL-UHFFFAOYSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
[3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone
CID 121146989
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
(3R)-1-methyl-3-naphthalen-2-ylpyrrolidine
CID 97355477
(3-bromo-4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 102962324
3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid
CID 22127361
(3-chloro-4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 102961716
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
2-(3-phenylpyrrolidine-1-carbonyl)anthracene-9,10-dione
CID 16764902
(2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56720609
[3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone
CID 54466721
(3,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115871745

Frequently Asked Questions

What is the IUPAC name of (3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone?
The IUPAC name of (3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone (CID 140969221) is (3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone.
What is the SMILES notation for (3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone?
The canonical SMILES for (3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone is O=C(c1ccccc1)N1CCC(c2ccc3ccccc3c2)C1.
What is the InChIKey of (3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone?
The InChIKey is SAMAPEAASOGVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c23-21(17-7-2-1-3-8-17)22-13-12-20(15-22)19-11-10-16-6-4-5-9-18(16)14-19/h1-11,14,20H,12-13,15H2.
What are the key properties of (3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone?
(3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone has a molecular weight of 301.39 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone is sourced from PubChem (CID 140969221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).