spiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile

C18H15N — CID 23151763

IUPACspiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile
SMILESN#Cc1cccc2c1C1(CCCC1)c1ccccc1-2
InChIInChI=1S/C18H15N/c19-12-13-6-5-8-15-14-7-1-2-9-16(14)18(17(13)15)10-3-4-11-18/h1-2,5-9H,3-4,10-11H2
InChIKeyMXBFMVIPRDCOTI-UHFFFAOYSA-N
MW245.33 g/mol
LogP4.40
Rot. Bonds

About spiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile

spiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile (PubChem CID 23151763) has the molecular formula C18H15N and a molecular weight of 245.33 g/mol. Its IUPAC name is spiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile.

Molecular Properties

Compound Namespiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile
PubChem CID23151763
Molecular FormulaC18H15N
Molecular Weight245.33 g/mol
Exact Mass245.12
IUPAC Namespiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile
SMILESN#Cc1cccc2c1C1(CCCC1)c1ccccc1-2
InChIInChI=1S/C18H15N/c19-12-13-6-5-8-15-14-7-1-2-9-16(14)18(17(13)15)10-3-4-11-18/h1-2,5-9H,3-4,10-11H2
InChIKeyMXBFMVIPRDCOTI-UHFFFAOYSA-N
XLogP4.40
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile
CID 171440669
methane;1'-methylspiro[cyclopentane-1,9'-fluorene]
CID 144945934
1'-iodospiro[cyclohexane-1,9'-fluorene]
CID 142567554
7'-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile
CID 171440743
2,4-diphenyl-6-(2-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine
CID 160857119
spiro[benzo[a]fluorene-11,1'-cyclononane]
CID 143254805
2,4-diphenyl-6-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)pyrimidine
CID 161309935
2-(1-cyanocyclopentyl)benzonitrile
CID 117047164
2,4,6-tri(spiro[cyclopentane-1,9'-fluorene]-2'-yl)pyrimidine
CID 71215635
2,4-diphenyl-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 161432932
1-(2-cyanophenyl)cyclopentane-1-carbonyl chloride
CID 117047162
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]-1,3,5-triazine
CID 158141122

Frequently Asked Questions

What is the IUPAC name of spiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile?
The IUPAC name of spiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile (CID 23151763) is spiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile.
What is the SMILES notation for spiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile?
The canonical SMILES for spiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile is N#Cc1cccc2c1C1(CCCC1)c1ccccc1-2.
What is the InChIKey of spiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile?
The InChIKey is MXBFMVIPRDCOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N/c19-12-13-6-5-8-15-14-7-1-2-9-16(14)18(17(13)15)10-3-4-11-18/h1-2,5-9H,3-4,10-11H2.
What are the key properties of spiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile?
spiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile is sourced from PubChem (CID 23151763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).