(7-amino-1,2,3,4-tetrahydronaphthalen-1-yl) acetate

C12H15NO2 — CID 58703991

IUPAC(7-amino-1,2,3,4-tetrahydronaphthalen-1-yl) acetate
SMILESCC(=O)OC1CCCc2ccc(N)cc21
InChIInChI=1S/C12H15NO2/c1-8(14)15-12-4-2-3-9-5-6-10(13)7-11(9)12/h5-7,12H,2-4,13H2,1H3
InChIKeyWDPGKXBCJFDXJT-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.21
Rot. Bonds1

About (7-amino-1,2,3,4-tetrahydronaphthalen-1-yl) acetate

(7-amino-1,2,3,4-tetrahydronaphthalen-1-yl) acetate (PubChem CID 58703991) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (7-amino-1,2,3,4-tetrahydronaphthalen-1-yl) acetate.

Molecular Properties

Compound Name(7-amino-1,2,3,4-tetrahydronaphthalen-1-yl) acetate
PubChem CID58703991
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(7-amino-1,2,3,4-tetrahydronaphthalen-1-yl) acetate
SMILESCC(=O)OC1CCCc2ccc(N)cc21
InChIInChI=1S/C12H15NO2/c1-8(14)15-12-4-2-3-9-5-6-10(13)7-11(9)12/h5-7,12H,2-4,13H2,1H3
InChIKeyWDPGKXBCJFDXJT-UHFFFAOYSA-N
XLogP2.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-amino-1,2,3,4-tetrahydronaphthalen-1-yl) acetate?
The IUPAC name of (7-amino-1,2,3,4-tetrahydronaphthalen-1-yl) acetate (CID 58703991) is (7-amino-1,2,3,4-tetrahydronaphthalen-1-yl) acetate.
What is the SMILES notation for (7-amino-1,2,3,4-tetrahydronaphthalen-1-yl) acetate?
The canonical SMILES for (7-amino-1,2,3,4-tetrahydronaphthalen-1-yl) acetate is CC(=O)OC1CCCc2ccc(N)cc21.
What is the InChIKey of (7-amino-1,2,3,4-tetrahydronaphthalen-1-yl) acetate?
The InChIKey is WDPGKXBCJFDXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(14)15-12-4-2-3-9-5-6-10(13)7-11(9)12/h5-7,12H,2-4,13H2,1H3.
What are the key properties of (7-amino-1,2,3,4-tetrahydronaphthalen-1-yl) acetate?
(7-amino-1,2,3,4-tetrahydronaphthalen-1-yl) acetate has a molecular weight of 205.26 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-1,2,3,4-tetrahydronaphthalen-1-yl) acetate is sourced from PubChem (CID 58703991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).