7-(2-bicyclo[2.2.1]hept-5-enyl)spiro[3.5]non-7-ene

C16H22 — CID 90902984

IUPAC7-(2-bicyclo[2.2.1]hept-5-enyl)spiro[3.5]non-7-ene
SMILESC1=CC2CC1CC2C1=CCC2(CCC2)CC1
InChIInChI=1S/C16H22/c1-6-16(7-1)8-4-13(5-9-16)15-11-12-2-3-14(15)10-12/h2-4,12,14-15H,1,5-11H2
InChIKeyBMPQDKNKUYWIQR-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.48
Rot. Bonds1

About 7-(2-bicyclo[2.2.1]hept-5-enyl)spiro[3.5]non-7-ene

7-(2-bicyclo[2.2.1]hept-5-enyl)spiro[3.5]non-7-ene (PubChem CID 90902984) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 7-(2-bicyclo[2.2.1]hept-5-enyl)spiro[3.5]non-7-ene.

Molecular Properties

Compound Name7-(2-bicyclo[2.2.1]hept-5-enyl)spiro[3.5]non-7-ene
PubChem CID90902984
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name7-(2-bicyclo[2.2.1]hept-5-enyl)spiro[3.5]non-7-ene
SMILESC1=CC2CC1CC2C1=CCC2(CCC2)CC1
InChIInChI=1S/C16H22/c1-6-16(7-1)8-4-13(5-9-16)15-11-12-2-3-14(15)10-12/h2-4,12,14-15H,1,5-11H2
InChIKeyBMPQDKNKUYWIQR-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.48
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

(1S,4R,5S)-5-phenylbicyclo[2.2.1]hept-2-ene
CID 98052947
4-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]pyridine
CID 58543813
6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine
CID 51381031
2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1H-imidazole
CID 165345939
5-(2-bicyclo[2.2.1]hept-5-enyl)-1H-imidazole
CID 91700479
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 115685818
(1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene
CID 102014475
5-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,2-oxazole
CID 131855201
3-(2-bicyclo[2.2.1]hept-5-enyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 23275163
5-(3-bromophenyl)bicyclo[2.2.1]hept-2-ene
CID 69021771
2-(2-bicyclo[2.2.1]hept-5-enyl)-1,5-dimethylpyrrole
CID 91711043
(1R)-bicyclo[2.2.1]hept-5-en-2-ol
CID 67822008

Frequently Asked Questions

What is the IUPAC name of 7-(2-bicyclo[2.2.1]hept-5-enyl)spiro[3.5]non-7-ene?
The IUPAC name of 7-(2-bicyclo[2.2.1]hept-5-enyl)spiro[3.5]non-7-ene (CID 90902984) is 7-(2-bicyclo[2.2.1]hept-5-enyl)spiro[3.5]non-7-ene.
What is the SMILES notation for 7-(2-bicyclo[2.2.1]hept-5-enyl)spiro[3.5]non-7-ene?
The canonical SMILES for 7-(2-bicyclo[2.2.1]hept-5-enyl)spiro[3.5]non-7-ene is C1=CC2CC1CC2C1=CCC2(CCC2)CC1.
What is the InChIKey of 7-(2-bicyclo[2.2.1]hept-5-enyl)spiro[3.5]non-7-ene?
The InChIKey is BMPQDKNKUYWIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-6-16(7-1)8-4-13(5-9-16)15-11-12-2-3-14(15)10-12/h2-4,12,14-15H,1,5-11H2.
What are the key properties of 7-(2-bicyclo[2.2.1]hept-5-enyl)spiro[3.5]non-7-ene?
7-(2-bicyclo[2.2.1]hept-5-enyl)spiro[3.5]non-7-ene has a molecular weight of 214.35 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bicyclo[2.2.1]hept-5-enyl)spiro[3.5]non-7-ene is sourced from PubChem (CID 90902984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).