(1R,2S,5S)-2-[(S)-hydroxy(naphthalen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one

C19H21NO2 — CID 11335415

IUPAC(1R,2S,5S)-2-[(S)-hydroxy(naphthalen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCN1[C@H]2CC[C@@H]1[C@@H]([C@H](O)c1ccc3ccccc3c1)C(=O)C2
InChIInChI=1S/C19H21NO2/c1-20-15-8-9-16(20)18(17(21)11-15)19(22)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15-16,18-19,22H,8-9,11H2,1H3/t15-,16+,18+,19+/m0/s1
InChIKeyDFHUHFMRFQKNSJ-QFHJOOASSA-N
MW295.38 g/mol
LogP2.92
Rot. Bonds2

About (1R,2S,5S)-2-[(S)-hydroxy(naphthalen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one

(1R,2S,5S)-2-[(S)-hydroxy(naphthalen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 11335415) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (1R,2S,5S)-2-[(S)-hydroxy(naphthalen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1R,2S,5S)-2-[(S)-hydroxy(naphthalen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID11335415
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(1R,2S,5S)-2-[(S)-hydroxy(naphthalen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCN1[C@H]2CC[C@@H]1[C@@H]([C@H](O)c1ccc3ccccc3c1)C(=O)C2
InChIInChI=1S/C19H21NO2/c1-20-15-8-9-16(20)18(17(21)11-15)19(22)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15-16,18-19,22H,8-9,11H2,1H3/t15-,16+,18+,19+/m0/s1
InChIKeyDFHUHFMRFQKNSJ-QFHJOOASSA-N
XLogP2.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S,5S)-2-[(S)-hydroxy-(1-methylpyrrol-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 11736773
cyclopropyl(naphthalen-2-yl)methanol
CID 62791150
cyclopentyl(naphthalen-2-yl)methanol
CID 62715022
(3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 11258353
1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one
CID 63100802
(2,2-dimethylcyclohexyl)-naphthalen-2-ylmethanol
CID 107192209
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol
CID 82216002
3-bicyclo[3.1.0]hexanyl(naphthalen-2-yl)methanol
CID 115792754
3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione
CID 60969409
7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol
CID 64987016
8-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-3-one
CID 21290649
2-(2-cyclopropylpropylamino)-1-naphthalen-2-ylethanol
CID 115591800

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-2-[(S)-hydroxy(naphthalen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1R,2S,5S)-2-[(S)-hydroxy(naphthalen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one (CID 11335415) is (1R,2S,5S)-2-[(S)-hydroxy(naphthalen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1R,2S,5S)-2-[(S)-hydroxy(naphthalen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1R,2S,5S)-2-[(S)-hydroxy(naphthalen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one is CN1[C@H]2CC[C@@H]1[C@@H]([C@H](O)c1ccc3ccccc3c1)C(=O)C2.
What is the InChIKey of (1R,2S,5S)-2-[(S)-hydroxy(naphthalen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is DFHUHFMRFQKNSJ-QFHJOOASSA-N. The full InChI is InChI=1S/C19H21NO2/c1-20-15-8-9-16(20)18(17(21)11-15)19(22)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15-16,18-19,22H,8-9,11H2,1H3/t15-,16+,18+,19+/m0/s1.
What are the key properties of (1R,2S,5S)-2-[(S)-hydroxy(naphthalen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
(1R,2S,5S)-2-[(S)-hydroxy(naphthalen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 295.38 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-2-[(S)-hydroxy(naphthalen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 11335415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).