1,2,3,4-tetrahydronaphthalen-1-yl 2-propylpyrrolidine-2-carboxylate

C18H25NO2 — CID 106978098

IUPAC1,2,3,4-tetrahydronaphthalen-1-yl 2-propylpyrrolidine-2-carboxylate
SMILESCCCC1(C(=O)OC2CCCc3ccccc32)CCCN1
InChIInChI=1S/C18H25NO2/c1-2-11-18(12-6-13-19-18)17(20)21-16-10-5-8-14-7-3-4-9-15(14)16/h3-4,7,9,16,19H,2,5-6,8,10-13H2,1H3
InChIKeyRIONOHFYKAGIKX-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.53
Rot. Bonds4

About 1,2,3,4-tetrahydronaphthalen-1-yl 2-propylpyrrolidine-2-carboxylate

1,2,3,4-tetrahydronaphthalen-1-yl 2-propylpyrrolidine-2-carboxylate (PubChem CID 106978098) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-1-yl 2-propylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-1-yl 2-propylpyrrolidine-2-carboxylate
PubChem CID106978098
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1,2,3,4-tetrahydronaphthalen-1-yl 2-propylpyrrolidine-2-carboxylate
SMILESCCCC1(C(=O)OC2CCCc3ccccc32)CCCN1
InChIInChI=1S/C18H25NO2/c1-2-11-18(12-6-13-19-18)17(20)21-16-10-5-8-14-7-3-4-9-15(14)16/h3-4,7,9,16,19H,2,5-6,8,10-13H2,1H3
InChIKeyRIONOHFYKAGIKX-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate
CID 63125791
1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate
CID 61279902
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate
CID 102439446
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-propylpyrrolidine-2-carboxamide
CID 106974332
1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate
CID 64603582
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylbutanoate
CID 58341708
1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate
CID 82905096
1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
CID 21316429
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylpropanoate
CID 101012492
1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate
CID 61277484
1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-3-methylbutanoate
CID 81072196
2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976775

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl 2-propylpyrrolidine-2-carboxylate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl 2-propylpyrrolidine-2-carboxylate (CID 106978098) is 1,2,3,4-tetrahydronaphthalen-1-yl 2-propylpyrrolidine-2-carboxylate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-1-yl 2-propylpyrrolidine-2-carboxylate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-1-yl 2-propylpyrrolidine-2-carboxylate is CCCC1(C(=O)OC2CCCc3ccccc32)CCCN1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-1-yl 2-propylpyrrolidine-2-carboxylate?
The InChIKey is RIONOHFYKAGIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-11-18(12-6-13-19-18)17(20)21-16-10-5-8-14-7-3-4-9-15(14)16/h3-4,7,9,16,19H,2,5-6,8,10-13H2,1H3.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-1-yl 2-propylpyrrolidine-2-carboxylate?
1,2,3,4-tetrahydronaphthalen-1-yl 2-propylpyrrolidine-2-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-1-yl 2-propylpyrrolidine-2-carboxylate is sourced from PubChem (CID 106978098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).