1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate

C13H14O2 — CID 21316429

IUPAC1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
SMILESC=CC(=O)OC1CCCc2ccccc21
InChIInChI=1S/C13H14O2/c1-2-13(14)15-12-9-5-7-10-6-3-4-8-11(10)12/h2-4,6,8,12H,1,5,7,9H2
InChIKeySTIQQSQWWUKLJQ-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.79
Rot. Bonds2

About 1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate

1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate (PubChem CID 21316429) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
PubChem CID21316429
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
SMILESC=CC(=O)OC1CCCc2ccccc21
InChIInChI=1S/C13H14O2/c1-2-13(14)15-12-9-5-7-10-6-3-4-8-11(10)12/h2-4,6,8,12H,1,5,7,9H2
InChIKeySTIQQSQWWUKLJQ-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(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
1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate
CID 64603582
1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate
CID 61279700
N-(1,2,3,4-tetrahydronaphthalen-1-yloxy)methanimine
CID 174418938
1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-3-methylbutanoate
CID 81072196
1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate
CID 61277484
1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate
CID 61279902
1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate
CID 103993279
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate
CID 102439446
4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)but-2-enoic acid
CID 76940962
(2-cyclopentylidenecyclopentyl) prop-2-enoate
CID 139893986

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate (CID 21316429) is 1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate is C=CC(=O)OC1CCCc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate?
The InChIKey is STIQQSQWWUKLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-13(14)15-12-9-5-7-10-6-3-4-8-11(10)12/h2-4,6,8,12H,1,5,7,9H2.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate?
1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate has a molecular weight of 202.25 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate is sourced from PubChem (CID 21316429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).