spiro[cycloheptene-3,9'-fluorene]

C19H18 — CID 134848598

IUPACspiro[cycloheptene-3,9'-fluorene]
SMILESC1=CC2(CCCC1)c1ccccc1-c1ccccc12
InChIInChI=1S/C19H18/c1-2-8-14-19(13-7-1)17-11-5-3-9-15(17)16-10-4-6-12-18(16)19/h3-7,9-13H,1-2,8,14H2
InChIKeyLOJJPZCTQLPWOY-UHFFFAOYSA-N
MW246.35 g/mol
LogP5.08
Rot. Bonds

About spiro[cycloheptene-3,9'-fluorene]

spiro[cycloheptene-3,9'-fluorene] (PubChem CID 134848598) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is spiro[cycloheptene-3,9'-fluorene].

Molecular Properties

Compound Namespiro[cycloheptene-3,9'-fluorene]
PubChem CID134848598
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Namespiro[cycloheptene-3,9'-fluorene]
SMILESC1=CC2(CCCC1)c1ccccc1-c1ccccc12
InChIInChI=1S/C19H18/c1-2-8-14-19(13-7-1)17-11-5-3-9-15(17)16-10-4-6-12-18(16)19/h3-7,9-13H,1-2,8,14H2
InChIKeyLOJJPZCTQLPWOY-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.35
LogP ≤ 55.08
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

(1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene]
CID 59318731
5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene]
CID 59318759
(3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one
CID 10059075
spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]
CID 123717351
1-[2-(2-fluorophenyl)phenyl]cyclopentan-1-ol
CID 19036896
spiro[benzo[b]fluorene-11,1'-cyclopentane]
CID 59806759
9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclopentane-1,9'-fluorene]
CID 159194629
2-bromospiro[cyclohexane-1,9'-fluorene]
CID 69346071
10-methylidenespiro[anthracene-9,1'-cyclopropane]
CID 12648503
6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene
CID 140892102
1'-iodospiro[cyclohexane-1,9'-fluorene]
CID 142567554
methane;1'-methylspiro[cyclopentane-1,9'-fluorene]
CID 144945934

Frequently Asked Questions

What is the IUPAC name of spiro[cycloheptene-3,9'-fluorene]?
The IUPAC name of spiro[cycloheptene-3,9'-fluorene] (CID 134848598) is spiro[cycloheptene-3,9'-fluorene].
What is the SMILES notation for spiro[cycloheptene-3,9'-fluorene]?
The canonical SMILES for spiro[cycloheptene-3,9'-fluorene] is C1=CC2(CCCC1)c1ccccc1-c1ccccc12.
What is the InChIKey of spiro[cycloheptene-3,9'-fluorene]?
The InChIKey is LOJJPZCTQLPWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-2-8-14-19(13-7-1)17-11-5-3-9-15(17)16-10-4-6-12-18(16)19/h3-7,9-13H,1-2,8,14H2.
What are the key properties of spiro[cycloheptene-3,9'-fluorene]?
spiro[cycloheptene-3,9'-fluorene] has a molecular weight of 246.35 g/mol, XLogP of 5.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[cycloheptene-3,9'-fluorene] is sourced from PubChem (CID 134848598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).