methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate

C17H19NO2 — CID 116860560

IUPACmethyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate
SMILESCOC(=O)C(c1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C17H19NO2/c1-20-17(19)16(18-10-4-5-11-18)15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-9,12,16H,4-5,10-11H2,1H3
InChIKeyZTJZABYIASAWJY-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.15
Rot. Bonds3

About methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate

methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate (PubChem CID 116860560) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate.

Molecular Properties

Compound Namemethyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate
PubChem CID116860560
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate
SMILESCOC(=O)C(c1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C17H19NO2/c1-20-17(19)16(18-10-4-5-11-18)15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-9,12,16H,4-5,10-11H2,1H3
InChIKeyZTJZABYIASAWJY-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
methyl 2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylacetate
CID 116860526
methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate
CID 116860463
methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate
CID 102294238
methyl 2-(1,3-benzoxazol-6-yl)-2-pyrrolidin-1-ylacetate
CID 116860541
dimethyl 2-[(1R)-1-naphthalen-2-ylethyl]propanedioate
CID 101238561
methyl 2-(2-bromophenyl)-2-pyrrolidin-1-ylacetate
CID 116860558
methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
CID 116857164
methyl 2-naphthalen-2-yl-3-oxopropanoate
CID 175120157
4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid
CID 22353154
1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one
CID 70916217
methyl 2-(1,4-diazepan-1-yl)-2-(3,4-dimethylphenyl)acetate
CID 60993819

Frequently Asked Questions

What is the IUPAC name of methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate?
The IUPAC name of methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate (CID 116860560) is methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate.
What is the SMILES notation for methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate?
The canonical SMILES for methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate is COC(=O)C(c1ccc2ccccc2c1)N1CCCC1.
What is the InChIKey of methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate?
The InChIKey is ZTJZABYIASAWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-17(19)16(18-10-4-5-11-18)15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-9,12,16H,4-5,10-11H2,1H3.
What are the key properties of methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate?
methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate has a molecular weight of 269.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate is sourced from PubChem (CID 116860560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).