(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid

C13H14O2 — CID 94419963

IUPAC(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@]12CCCc1ccccc12
InChIInChI=1S/C13H14O2/c14-12(15)11-8-13(11)7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6,11H,3,5,7-8H2,(H,14,15)/t11-,13+/m0/s1
InChIKeyWVRLFWFGLWUZBD-WCQYABFASA-N
MW202.25 g/mol
LogP2.37
Rot. Bonds1

About (1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid

(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid (PubChem CID 94419963) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid.

Molecular Properties

Compound Name(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
PubChem CID94419963
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@]12CCCc1ccccc12
InChIInChI=1S/C13H14O2/c14-12(15)11-8-13(11)7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6,11H,3,5,7-8H2,(H,14,15)/t11-,13+/m0/s1
InChIKeyWVRLFWFGLWUZBD-WCQYABFASA-N
XLogP2.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid?
The IUPAC name of (1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid (CID 94419963) is (1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid.
What is the SMILES notation for (1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid?
The canonical SMILES for (1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid is O=C(O)[C@@H]1C[C@@]12CCCc1ccccc12.
What is the InChIKey of (1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid?
The InChIKey is WVRLFWFGLWUZBD-WCQYABFASA-N. The full InChI is InChI=1S/C13H14O2/c14-12(15)11-8-13(11)7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6,11H,3,5,7-8H2,(H,14,15)/t11-,13+/m0/s1.
What are the key properties of (1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid?
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid is sourced from PubChem (CID 94419963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).