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

C16H17Cl — CID 67993476

IUPAC7-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
SMILESClc1ccc2c(c1)CCCC21CC2=CCC1C2
InChIInChI=1S/C16H17Cl/c17-14-5-6-15-12(9-14)2-1-7-16(15)10-11-3-4-13(16)8-11/h3,5-6,9,13H,1-2,4,7-8,10H2
InChIKeyAKBCVJVPKPGKNZ-UHFFFAOYSA-N
MW244.76 g/mol
LogP4.65
Rot. Bonds

About 7-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]

7-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] (PubChem CID 67993476) has the molecular formula C16H17Cl and a molecular weight of 244.76 g/mol. Its IUPAC name is 7-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene].

Molecular Properties

Compound Name7-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
PubChem CID67993476
Molecular FormulaC16H17Cl
Molecular Weight244.76 g/mol
Exact Mass244.10
IUPAC Name7-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
SMILESClc1ccc2c(c1)CCCC21CC2=CCC1C2
InChIInChI=1S/C16H17Cl/c17-14-5-6-15-12(9-14)2-1-7-16(15)10-11-3-4-13(16)8-11/h3,5-6,9,13H,1-2,4,7-8,10H2
InChIKeyAKBCVJVPKPGKNZ-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 7-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] with MolForge

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Related Compounds

6-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
CID 173049280
5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
CID 67993898
spiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine
CID 67994387
spiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-1-amine
CID 67993750
5-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
CID 173380787
5-butylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene]
CID 173380793
7-chlorospiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67993539
tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate
CID 122463522
7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67143896
7-phenylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67994044
6-methylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67993832
2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid
CID 115057332

Frequently Asked Questions

What is the IUPAC name of 7-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]?
The IUPAC name of 7-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] (CID 67993476) is 7-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene].
What is the SMILES notation for 7-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]?
The canonical SMILES for 7-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] is Clc1ccc2c(c1)CCCC21CC2=CCC1C2.
What is the InChIKey of 7-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]?
The InChIKey is AKBCVJVPKPGKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl/c17-14-5-6-15-12(9-14)2-1-7-16(15)10-11-3-4-13(16)8-11/h3,5-6,9,13H,1-2,4,7-8,10H2.
What are the key properties of 7-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]?
7-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 7-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] is sourced from PubChem (CID 67993476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).