spiro[1,2-dihydroindole-3,1'-cyclohexane]

C13H17N — CID 13418476

IUPACspiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESc1ccc2c(c1)NCC21CCCCC1
InChIInChI=1S/C13H17N/c1-4-8-13(9-5-1)10-14-12-7-3-2-6-11(12)13/h2-3,6-7,14H,1,4-5,8-10H2
InChIKeyRCCSQDBNKNGWCP-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.31
Rot. Bonds

About spiro[1,2-dihydroindole-3,1'-cyclohexane]

spiro[1,2-dihydroindole-3,1'-cyclohexane] (PubChem CID 13418476) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is spiro[1,2-dihydroindole-3,1'-cyclohexane].

Molecular Properties

Compound Namespiro[1,2-dihydroindole-3,1'-cyclohexane]
PubChem CID13418476
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Namespiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESc1ccc2c(c1)NCC21CCCCC1
InChIInChI=1S/C13H17N/c1-4-8-13(9-5-1)10-14-12-7-3-2-6-11(12)13/h2-3,6-7,14H,1,4-5,8-10H2
InChIKeyRCCSQDBNKNGWCP-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroindole-3,1'-cyclohexane]?
The IUPAC name of spiro[1,2-dihydroindole-3,1'-cyclohexane] (CID 13418476) is spiro[1,2-dihydroindole-3,1'-cyclohexane].
What is the SMILES notation for spiro[1,2-dihydroindole-3,1'-cyclohexane]?
The canonical SMILES for spiro[1,2-dihydroindole-3,1'-cyclohexane] is c1ccc2c(c1)NCC21CCCCC1.
What is the InChIKey of spiro[1,2-dihydroindole-3,1'-cyclohexane]?
The InChIKey is RCCSQDBNKNGWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-4-8-13(9-5-1)10-14-12-7-3-2-6-11(12)13/h2-3,6-7,14H,1,4-5,8-10H2.
What are the key properties of spiro[1,2-dihydroindole-3,1'-cyclohexane]?
spiro[1,2-dihydroindole-3,1'-cyclohexane] has a molecular weight of 187.29 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroindole-3,1'-cyclohexane] is sourced from PubChem (CID 13418476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).