5,6-dichlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

C11H11Cl2N — CID 122442949

IUPAC5,6-dichlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESNC1CC12CCc1cc(Cl)c(Cl)cc12
InChIInChI=1S/C11H11Cl2N/c12-8-3-6-1-2-11(5-10(11)14)7(6)4-9(8)13/h3-4,10H,1-2,5,14H2
InChIKeyVLPZTIINZIZALX-UHFFFAOYSA-N
MW228.12 g/mol
LogP2.91
Rot. Bonds

About 5,6-dichlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

5,6-dichlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (PubChem CID 122442949) has the molecular formula C11H11Cl2N and a molecular weight of 228.12 g/mol. Its IUPAC name is 5,6-dichlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound Name5,6-dichlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
PubChem CID122442949
Molecular FormulaC11H11Cl2N
Molecular Weight228.12 g/mol
Exact Mass227.03
IUPAC Name5,6-dichlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESNC1CC12CCc1cc(Cl)c(Cl)cc12
InChIInChI=1S/C11H11Cl2N/c12-8-3-6-1-2-11(5-10(11)14)7(6)4-9(8)13/h3-4,10H,1-2,5,14H2
InChIKeyVLPZTIINZIZALX-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The IUPAC name of 5,6-dichlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (CID 122442949) is 5,6-dichlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.
What is the SMILES notation for 5,6-dichlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The canonical SMILES for 5,6-dichlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is NC1CC12CCc1cc(Cl)c(Cl)cc12.
What is the InChIKey of 5,6-dichlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The InChIKey is VLPZTIINZIZALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N/c12-8-3-6-1-2-11(5-10(11)14)7(6)4-9(8)13/h3-4,10H,1-2,5,14H2.
What are the key properties of 5,6-dichlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
5,6-dichlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine has a molecular weight of 228.12 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 122442949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).