[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

C17H23NO2 — CID 102738316

IUPAC[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCCc3ccccc32)C1CO
InChIInChI=1S/C17H23NO2/c1-12-9-10-18(16(12)11-19)17(20)15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,12,15-16,19H,4,6,8-11H2,1H3
InChIKeyVNVJGLBLCDFQIE-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.34
Rot. Bonds2

About [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (PubChem CID 102738316) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
PubChem CID102738316
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCCc3ccccc32)C1CO
InChIInChI=1S/C17H23NO2/c1-12-9-10-18(16(12)11-19)17(20)15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,12,15-16,19H,4,6,8-11H2,1H3
InChIKeyVNVJGLBLCDFQIE-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
CID 102738556
(4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134062077
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 114501421
2-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212817
(4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 94416624
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034276
(4-amino-3-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 81450521
[4-(ethylaminomethyl)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119647672
[4-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119563339
[4-(bromomethyl)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 80678102
(4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 80706477
[2-(2-methoxyphenyl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 120733877

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (CID 102738316) is [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is CC1CCN(C(=O)C2CCCc3ccccc32)C1CO.
What is the InChIKey of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The InChIKey is VNVJGLBLCDFQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12-9-10-18(16(12)11-19)17(20)15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,12,15-16,19H,4,6,8-11H2,1H3.
What are the key properties of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is sourced from PubChem (CID 102738316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).