1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate

C15H19NO2 — CID 64603582

IUPAC1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate
SMILESO=C(CC1CNC1)OC1CCCc2ccccc21
InChIInChI=1S/C15H19NO2/c17-15(8-11-9-16-10-11)18-14-7-3-5-12-4-1-2-6-13(12)14/h1-2,4,6,11,14,16H,3,5,7-10H2
InChIKeyIGOIOYMREFFIJB-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.22
Rot. Bonds3

About 1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate

1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate (PubChem CID 64603582) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate
PubChem CID64603582
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate
SMILESO=C(CC1CNC1)OC1CCCc2ccccc21
InChIInChI=1S/C15H19NO2/c17-15(8-11-9-16-10-11)18-14-7-3-5-12-4-1-2-6-13(12)14/h1-2,4,6,11,14,16H,3,5,7-10H2
InChIKeyIGOIOYMREFFIJB-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate
CID 61279700
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
1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
CID 21316429
1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate
CID 63125791
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate
CID 102439446
1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate
CID 107339958
1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate
CID 82905096
[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] benzoate
CID 100999748
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylpropanoate
CID 101012492
[(1S)-2,3-dihydro-1H-inden-1-yl] 2-[4,7,10-tris[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 101249884
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylbutanoate
CID 58341708

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate (CID 64603582) is 1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate is O=C(CC1CNC1)OC1CCCc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate?
The InChIKey is IGOIOYMREFFIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(8-11-9-16-10-11)18-14-7-3-5-12-4-1-2-6-13(12)14/h1-2,4,6,11,14,16H,3,5,7-10H2.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate?
1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate has a molecular weight of 245.32 g/mol, XLogP of 2.22, 3 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-(azetidin-3-yl)acetate is sourced from PubChem (CID 64603582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).