(2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene

C13H16 — CID 129383765

IUPAC(2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
SMILESC=CC[C@@H]1CCc2ccccc2C1
InChIInChI=1S/C13H16/c1-2-5-11-8-9-12-6-3-4-7-13(12)10-11/h2-4,6-7,11H,1,5,8-10H2/t11-/m1/s1
InChIKeyJIRHQQXKSYAUHX-LLVKDONJSA-N
MW172.27 g/mol
LogP3.37
Rot. Bonds2

About (2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene

(2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 129383765) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
PubChem CID129383765
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name(2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
SMILESC=CC[C@@H]1CCc2ccccc2C1
InChIInChI=1S/C13H16/c1-2-5-11-8-9-12-6-3-4-7-13(12)10-11/h2-4,6-7,11H,1,5,8-10H2/t11-/m1/s1
InChIKeyJIRHQQXKSYAUHX-LLVKDONJSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene 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

2-ethenyl-1,2,3,4-tetrahydronaphthalene
CID 18314182
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 86313684
2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene
CID 15752629
2-propyl-1,2,3,4-tetrahydronaphthalene
CID 13330225
2-(methylsulfanylmethyl)-1,2,3,4-tetrahydronaphthalene
CID 130736237
1,2,3,4-tetrahydronaphthalen-2-ylmethylhydrazine
CID 107126485
3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol
CID 67879898
1-methyl-6-prop-2-enyl-5,6,7,8-tetrahydroisoquinoline
CID 131993394
2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 14298811
2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene
CID 143252120
(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 1380957
2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalene
CID 102001272

Frequently Asked Questions

What is the IUPAC name of (2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene (CID 129383765) is (2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene is C=CC[C@@H]1CCc2ccccc2C1.
What is the InChIKey of (2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is JIRHQQXKSYAUHX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16/c1-2-5-11-8-9-12-6-3-4-7-13(12)10-11/h2-4,6-7,11H,1,5,8-10H2/t11-/m1/s1.
What are the key properties of (2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene?
(2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 172.27 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 129383765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).