(2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile

C17H16N2O2 — CID 73353424

IUPAC(2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)COc1cccc2ccccc12
InChIInChI=1S/C17H16N2O2/c18-11-14-7-4-10-19(14)17(20)12-21-16-9-3-6-13-5-1-2-8-15(13)16/h1-3,5-6,8-9,14H,4,7,10,12H2/t14-/m0/s1
InChIKeyGXTNNLMFNYTVNV-AWEZNQCLSA-N
MW280.33 g/mol
LogP2.73
Rot. Bonds3

About (2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile

(2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile (PubChem CID 73353424) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile
PubChem CID73353424
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)COc1cccc2ccccc12
InChIInChI=1S/C17H16N2O2/c18-11-14-7-4-10-19(14)17(20)12-21-16-9-3-6-13-5-1-2-8-15(13)16/h1-3,5-6,8-9,14H,4,7,10,12H2/t14-/m0/s1
InChIKeyGXTNNLMFNYTVNV-AWEZNQCLSA-N
XLogP2.73
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2R,5R)-5-(naphthalen-1-yloxymethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 69420166
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone
CID 112823841
1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride
CID 119379609
2-naphthalen-1-yloxy-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 120949565
methyl 4-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethoxy]-7-methylquinoline-2-carboxylate
CID 68601004
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile
CID 106892896
(2S)-1-(2-anilinoacetyl)pyrrolidine-2-carbonitrile
CID 71567750
1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide
CID 43183682
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride
CID 120815312
(2-ethoxy-2-oxoethyl) 2-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate
CID 151717163
2-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid
CID 2050442

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile (CID 73353424) is (2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)COc1cccc2ccccc12.
What is the InChIKey of (2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile?
The InChIKey is GXTNNLMFNYTVNV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16N2O2/c18-11-14-7-4-10-19(14)17(20)12-21-16-9-3-6-13-5-1-2-8-15(13)16/h1-3,5-6,8-9,14H,4,7,10,12H2/t14-/m0/s1.
What are the key properties of (2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile?
(2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile is sourced from PubChem (CID 73353424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).