5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]

C16H17Cl — CID 67993898

IUPAC5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
SMILESClc1cccc2c1C1(CCC2)CC2=CCC1C2
InChIInChI=1S/C16H17Cl/c17-14-5-1-3-12-4-2-8-16(15(12)14)10-11-6-7-13(16)9-11/h1,3,5-6,13H,2,4,7-10H2
InChIKeyXJDFGJKCVRVDHV-UHFFFAOYSA-N
MW244.76 g/mol
LogP4.65
Rot. Bonds

About 5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]

5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] (PubChem CID 67993898) has the molecular formula C16H17Cl and a molecular weight of 244.76 g/mol. Its IUPAC name is 5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene].

Molecular Properties

Compound Name5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
PubChem CID67993898
Molecular FormulaC16H17Cl
Molecular Weight244.76 g/mol
Exact Mass244.10
IUPAC Name5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
SMILESClc1cccc2c1C1(CCC2)CC2=CCC1C2
InChIInChI=1S/C16H17Cl/c17-14-5-1-3-12-4-2-8-16(15(12)14)10-11-6-7-13(16)9-11/h1,3,5-6,13H,2,4,7-10H2
InChIKeyXJDFGJKCVRVDHV-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.76
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] 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 5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]?
The IUPAC name of 5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] (CID 67993898) is 5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene].
What is the SMILES notation for 5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]?
The canonical SMILES for 5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] is Clc1cccc2c1C1(CCC2)CC2=CCC1C2.
What is the InChIKey of 5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]?
The InChIKey is XJDFGJKCVRVDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl/c17-14-5-1-3-12-4-2-8-16(15(12)14)10-11-6-7-13(16)9-11/h1,3,5-6,13H,2,4,7-10H2.
What are the key properties of 5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]?
5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] has a molecular weight of 244.76 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] is sourced from PubChem (CID 67993898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).