spiro[3a,4,7,7a-tetrahydroindene-1,1'-cyclopropane]

C11H14 — CID 14170016

IUPACspiro[3a,4,7,7a-tetrahydroindene-1,1'-cyclopropane]
SMILESC1=CCC2C(C=CC23CC3)C1
InChIInChI=1S/C11H14/c1-2-4-10-9(3-1)5-6-11(10)7-8-11/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyZJSIBJGKFZQKMD-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.92
Rot. Bonds

About spiro[3a,4,7,7a-tetrahydroindene-1,1'-cyclopropane]

spiro[3a,4,7,7a-tetrahydroindene-1,1'-cyclopropane] (PubChem CID 14170016) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is spiro[3a,4,7,7a-tetrahydroindene-1,1'-cyclopropane].

Molecular Properties

Compound Namespiro[3a,4,7,7a-tetrahydroindene-1,1'-cyclopropane]
PubChem CID14170016
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Namespiro[3a,4,7,7a-tetrahydroindene-1,1'-cyclopropane]
SMILESC1=CCC2C(C=CC23CC3)C1
InChIInChI=1S/C11H14/c1-2-4-10-9(3-1)5-6-11(10)7-8-11/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyZJSIBJGKFZQKMD-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of spiro[3a,4,7,7a-tetrahydroindene-1,1'-cyclopropane]?
The IUPAC name of spiro[3a,4,7,7a-tetrahydroindene-1,1'-cyclopropane] (CID 14170016) is spiro[3a,4,7,7a-tetrahydroindene-1,1'-cyclopropane].
What is the SMILES notation for spiro[3a,4,7,7a-tetrahydroindene-1,1'-cyclopropane]?
The canonical SMILES for spiro[3a,4,7,7a-tetrahydroindene-1,1'-cyclopropane] is C1=CCC2C(C=CC23CC3)C1.
What is the InChIKey of spiro[3a,4,7,7a-tetrahydroindene-1,1'-cyclopropane]?
The InChIKey is ZJSIBJGKFZQKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-2-4-10-9(3-1)5-6-11(10)7-8-11/h1-2,5-6,9-10H,3-4,7-8H2.
What are the key properties of spiro[3a,4,7,7a-tetrahydroindene-1,1'-cyclopropane]?
spiro[3a,4,7,7a-tetrahydroindene-1,1'-cyclopropane] has a molecular weight of 146.23 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3a,4,7,7a-tetrahydroindene-1,1'-cyclopropane] is sourced from PubChem (CID 14170016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).