spiro[cyclopropane-2,9'-fluorene]-1-carbonitrile

C16H11N — CID 19756098

IUPACspiro[cyclopropane-2,9'-fluorene]-1-carbonitrile
SMILESN#CC1CC12c1ccccc1-c1ccccc12
InChIInChI=1S/C16H11N/c17-10-11-9-16(11)14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,11H,9H2
InChIKeyJYEDMBDHXSCOIO-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.50
Rot. Bonds

About spiro[cyclopropane-2,9'-fluorene]-1-carbonitrile

spiro[cyclopropane-2,9'-fluorene]-1-carbonitrile (PubChem CID 19756098) has the molecular formula C16H11N and a molecular weight of 217.27 g/mol. Its IUPAC name is spiro[cyclopropane-2,9'-fluorene]-1-carbonitrile.

Molecular Properties

Compound Namespiro[cyclopropane-2,9'-fluorene]-1-carbonitrile
PubChem CID19756098
Molecular FormulaC16H11N
Molecular Weight217.27 g/mol
Exact Mass217.09
IUPAC Namespiro[cyclopropane-2,9'-fluorene]-1-carbonitrile
SMILESN#CC1CC12c1ccccc1-c1ccccc12
InChIInChI=1S/C16H11N/c17-10-11-9-16(11)14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,11H,9H2
InChIKeyJYEDMBDHXSCOIO-UHFFFAOYSA-N
XLogP3.50
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[cyclopropane-2,9'-fluorene]-1-carbonitrile?
The IUPAC name of spiro[cyclopropane-2,9'-fluorene]-1-carbonitrile (CID 19756098) is spiro[cyclopropane-2,9'-fluorene]-1-carbonitrile.
What is the SMILES notation for spiro[cyclopropane-2,9'-fluorene]-1-carbonitrile?
The canonical SMILES for spiro[cyclopropane-2,9'-fluorene]-1-carbonitrile is N#CC1CC12c1ccccc1-c1ccccc12.
What is the InChIKey of spiro[cyclopropane-2,9'-fluorene]-1-carbonitrile?
The InChIKey is JYEDMBDHXSCOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N/c17-10-11-9-16(11)14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,11H,9H2.
What are the key properties of spiro[cyclopropane-2,9'-fluorene]-1-carbonitrile?
spiro[cyclopropane-2,9'-fluorene]-1-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[cyclopropane-2,9'-fluorene]-1-carbonitrile is sourced from PubChem (CID 19756098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).