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

C13H16 — CID 138977422

IUPAC(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
SMILESC=CC[C@H]1CCCc2ccccc21
InChIInChI=1S/C13H16/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h2-4,7,10-11H,1,5-6,8-9H2/t11-/m0/s1
InChIKeyWYYNQXVVZCYEAC-NSHDSACASA-N
MW172.27 g/mol
LogP3.68
Rot. Bonds2

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

(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 138977422) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is (1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
PubChem CID138977422
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
SMILESC=CC[C@H]1CCCc2ccccc21
InChIInChI=1S/C13H16/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h2-4,7,10-11H,1,5-6,8-9H2/t11-/m0/s1
InChIKeyWYYNQXVVZCYEAC-NSHDSACASA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol
CID 63771637
N-ethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-en-1-amine
CID 79590299
N'-(2-aminoethyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55242274
1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 115778435
1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63771109
1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 65130800
1-(3-methyl-2-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63773352

Frequently Asked Questions

What is the IUPAC name of (1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene (CID 138977422) is (1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene is C=CC[C@H]1CCCc2ccccc21.
What is the InChIKey of (1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WYYNQXVVZCYEAC-NSHDSACASA-N. The full InChI is InChI=1S/C13H16/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h2-4,7,10-11H,1,5-6,8-9H2/t11-/m0/s1.
What are the key properties of (1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene?
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 172.27 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 138977422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).