7'-bromospiro[cyclopropane-1,1'-indene]-5'-amine

C11H10BrN — CID 178069075

IUPAC7'-bromospiro[cyclopropane-1,1'-indene]-5'-amine
SMILESNc1cc(Br)c2c(c1)C=CC21CC1
InChIInChI=1S/C11H10BrN/c12-9-6-8(13)5-7-1-2-11(3-4-11)10(7)9/h1-2,5-6H,3-4,13H2
InChIKeyCIQBEIAPJRMODY-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.09
Rot. Bonds

About 7'-bromospiro[cyclopropane-1,1'-indene]-5'-amine

7'-bromospiro[cyclopropane-1,1'-indene]-5'-amine (PubChem CID 178069075) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 7'-bromospiro[cyclopropane-1,1'-indene]-5'-amine.

Molecular Properties

Compound Name7'-bromospiro[cyclopropane-1,1'-indene]-5'-amine
PubChem CID178069075
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name7'-bromospiro[cyclopropane-1,1'-indene]-5'-amine
SMILESNc1cc(Br)c2c(c1)C=CC21CC1
InChIInChI=1S/C11H10BrN/c12-9-6-8(13)5-7-1-2-11(3-4-11)10(7)9/h1-2,5-6H,3-4,13H2
InChIKeyCIQBEIAPJRMODY-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7'-bromospiro[cyclopropane-1,1'-indene]-5'-amine?
The IUPAC name of 7'-bromospiro[cyclopropane-1,1'-indene]-5'-amine (CID 178069075) is 7'-bromospiro[cyclopropane-1,1'-indene]-5'-amine.
What is the SMILES notation for 7'-bromospiro[cyclopropane-1,1'-indene]-5'-amine?
The canonical SMILES for 7'-bromospiro[cyclopropane-1,1'-indene]-5'-amine is Nc1cc(Br)c2c(c1)C=CC21CC1.
What is the InChIKey of 7'-bromospiro[cyclopropane-1,1'-indene]-5'-amine?
The InChIKey is CIQBEIAPJRMODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c12-9-6-8(13)5-7-1-2-11(3-4-11)10(7)9/h1-2,5-6H,3-4,13H2.
What are the key properties of 7'-bromospiro[cyclopropane-1,1'-indene]-5'-amine?
7'-bromospiro[cyclopropane-1,1'-indene]-5'-amine has a molecular weight of 236.11 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-bromospiro[cyclopropane-1,1'-indene]-5'-amine is sourced from PubChem (CID 178069075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).