spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]

C17H22N2 — CID 10083666

IUPACspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]
SMILESc1ccc2c3c([nH]c2c1)C1(CCCCCC1)NCC3
InChIInChI=1S/C17H22N2/c1-2-6-11-17(10-5-1)16-14(9-12-18-17)13-7-3-4-8-15(13)19-16/h3-4,7-8,18-19H,1-2,5-6,9-12H2
InChIKeyGYKVTMDRJLQNJP-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.86
Rot. Bonds

About spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]

spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane] (PubChem CID 10083666) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane].

Molecular Properties

Compound Namespiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]
PubChem CID10083666
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Namespiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]
SMILESc1ccc2c3c([nH]c2c1)C1(CCCCCC1)NCC3
InChIInChI=1S/C17H22N2/c1-2-6-11-17(10-5-1)16-14(9-12-18-17)13-7-3-4-8-15(13)19-16/h3-4,7-8,18-19H,1-2,5-6,9-12H2
InChIKeyGYKVTMDRJLQNJP-UHFFFAOYSA-N
XLogP3.86
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]?
The IUPAC name of spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane] (CID 10083666) is spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane].
What is the SMILES notation for spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]?
The canonical SMILES for spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane] is c1ccc2c3c([nH]c2c1)C1(CCCCCC1)NCC3.
What is the InChIKey of spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]?
The InChIKey is GYKVTMDRJLQNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-6-11-17(10-5-1)16-14(9-12-18-17)13-7-3-4-8-15(13)19-16/h3-4,7-8,18-19H,1-2,5-6,9-12H2.
What are the key properties of spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]?
spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane] has a molecular weight of 254.38 g/mol, XLogP of 3.86, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane] is sourced from PubChem (CID 10083666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).