(2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one

C18H21NO2 — CID 99634273

IUPAC(2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCC[C@H]1CO)c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO2/c1-13(18(21)19-10-4-7-17(19)12-20)15-9-8-14-5-2-3-6-16(14)11-15/h2-3,5-6,8-9,11,13,17,20H,4,7,10,12H2,1H3/t13-,17+/m1/s1
InChIKeyDMOVXRKYZMNEPQ-DYVFJYSZSA-N
MW283.37 g/mol
LogP2.93
Rot. Bonds3

About (2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one

(2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one (PubChem CID 99634273) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one
PubChem CID99634273
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCC[C@H]1CO)c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO2/c1-13(18(21)19-10-4-7-17(19)12-20)15-9-8-14-5-2-3-6-16(14)11-15/h2-3,5-6,8-9,11,13,17,20H,4,7,10,12H2,1H3/t13-,17+/m1/s1
InChIKeyDMOVXRKYZMNEPQ-DYVFJYSZSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminophenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107210059
3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
CID 120579611
5-[1-(2-naphthalen-2-ylpropanoyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid
CID 166275562
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-nitrophenyl)propan-1-one
CID 106592035
3-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 107217984
(2S)-2-amino-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 84589154
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-phenylpentan-1-one
CID 61410735
1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 21431522
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 61409346
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 62099075
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(3-fluorophenyl)propan-1-one
CID 119631261
(2R)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107218086

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one?
The IUPAC name of (2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one (CID 99634273) is (2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for (2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one?
The canonical SMILES for (2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one is C[C@@H](C(=O)N1CCC[C@H]1CO)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one?
The InChIKey is DMOVXRKYZMNEPQ-DYVFJYSZSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(18(21)19-10-4-7-17(19)12-20)15-9-8-14-5-2-3-6-16(14)11-15/h2-3,5-6,8-9,11,13,17,20H,4,7,10,12H2,1H3/t13-,17+/m1/s1.
What are the key properties of (2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one?
(2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one has a molecular weight of 283.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 99634273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).