6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]

C16H20N2O — CID 17339270

IUPAC6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]
SMILESCOc1ccc2[nH]c3c(c2c1)CCNC31CCCC1
InChIInChI=1S/C16H20N2O/c1-19-11-4-5-14-13(10-11)12-6-9-17-16(15(12)18-14)7-2-3-8-16/h4-5,10,17-18H,2-3,6-9H2,1H3
InChIKeyJPRVDULVBRZMLF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.09
Rot. Bonds1

About 6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]

6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane] (PubChem CID 17339270) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane].

Molecular Properties

Compound Name6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]
PubChem CID17339270
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]
SMILESCOc1ccc2[nH]c3c(c2c1)CCNC31CCCC1
InChIInChI=1S/C16H20N2O/c1-19-11-4-5-14-13(10-11)12-6-9-17-16(15(12)18-14)7-2-3-8-16/h4-5,10,17-18H,2-3,6-9H2,1H3
InChIKeyJPRVDULVBRZMLF-UHFFFAOYSA-N
XLogP3.09
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]?
The IUPAC name of 6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane] (CID 17339270) is 6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane].
What is the SMILES notation for 6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]?
The canonical SMILES for 6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane] is COc1ccc2[nH]c3c(c2c1)CCNC31CCCC1.
What is the InChIKey of 6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]?
The InChIKey is JPRVDULVBRZMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-19-11-4-5-14-13(10-11)12-6-9-17-16(15(12)18-14)7-2-3-8-16/h4-5,10,17-18H,2-3,6-9H2,1H3.
What are the key properties of 6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]?
6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane] has a molecular weight of 256.35 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane] is sourced from PubChem (CID 17339270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).