7-chlorospiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one

C16H15ClO — CID 67993539

IUPAC7-chlorospiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one
SMILESO=C1CC2(CC3=CCC2C3)Cc2ccc(Cl)cc21
InChIInChI=1S/C16H15ClO/c17-13-4-2-11-8-16(9-15(18)14(11)6-13)7-10-1-3-12(16)5-10/h1-2,4,6,12H,3,5,7-9H2
InChIKeyNECZUSLHKUSHOX-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.20
Rot. Bonds

About 7-chlorospiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one

7-chlorospiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one (PubChem CID 67993539) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 7-chlorospiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one.

Molecular Properties

Compound Name7-chlorospiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one
PubChem CID67993539
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name7-chlorospiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one
SMILESO=C1CC2(CC3=CCC2C3)Cc2ccc(Cl)cc21
InChIInChI=1S/C16H15ClO/c17-13-4-2-11-8-16(9-15(18)14(11)6-13)7-10-1-3-12(16)5-10/h1-2,4,6,12H,3,5,7-9H2
InChIKeyNECZUSLHKUSHOX-UHFFFAOYSA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Chloroanthraquinone
CID 8553
Sertraline ketone
CID 1474501
(2E)-2-((4-Chlorophenyl)methylene)-3,4-dihydro-1(2H)-naphthalenone
CID 1553776
2,7-Dichloro-9-fluorenone
CID 80527
2-[2-(4-Chlorophenyl)-2-oxoethyl]-3-methylnaphthoquinone
CID 1473361
2-(4-Chlorophenyl)naphthoquinone
CID 795104
5-(3-Chlorophenyl)-3,3-dimethylindan-1-one
CID 45483812
5-(3,4-Dichlorophenyl)-3,3-dimethylindan-1-one
CID 45483819
2,7-Dichloroanthraquinone
CID 235822
C17H13ClO
CID 288807
1(2H)-Naphthalenone, 2-[(3-chlorophenyl)methylene]-3,4-dihydro-
CID 367220
1-Chloroanthrone
CID 408811

Frequently Asked Questions

What is the IUPAC name of 7-chlorospiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
The IUPAC name of 7-chlorospiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one (CID 67993539) is 7-chlorospiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one.
What is the SMILES notation for 7-chlorospiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
The canonical SMILES for 7-chlorospiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one is O=C1CC2(CC3=CCC2C3)Cc2ccc(Cl)cc21.
What is the InChIKey of 7-chlorospiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
The InChIKey is NECZUSLHKUSHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO/c17-13-4-2-11-8-16(9-15(18)14(11)6-13)7-10-1-3-12(16)5-10/h1-2,4,6,12H,3,5,7-9H2.
What are the key properties of 7-chlorospiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
7-chlorospiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one has a molecular weight of 258.75 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorospiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one is sourced from PubChem (CID 67993539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).