5-(cyclopentylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole

C17H22N2 — CID 156776177

IUPAC5-(cyclopentylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESc1ccc2c(c1)c1c(n2CC2CCCC2)CCNC1
InChIInChI=1S/C17H22N2/c1-2-6-13(5-1)12-19-16-8-4-3-7-14(16)15-11-18-10-9-17(15)19/h3-4,7-8,13,18H,1-2,5-6,9-12H2
InChIKeyIWBOXGBOEYSDKA-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.48
Rot. Bonds2

About 5-(cyclopentylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole

5-(cyclopentylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole (PubChem CID 156776177) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
PubChem CID156776177
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name5-(cyclopentylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESc1ccc2c(c1)c1c(n2CC2CCCC2)CCNC1
InChIInChI=1S/C17H22N2/c1-2-6-13(5-1)12-19-16-8-4-3-7-14(16)15-11-18-10-9-17(15)19/h3-4,7-8,13,18H,1-2,5-6,9-12H2
InChIKeyIWBOXGBOEYSDKA-UHFFFAOYSA-N
XLogP3.48
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 5-(cyclopentylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole (CID 156776177) is 5-(cyclopentylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 5-(cyclopentylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 5-(cyclopentylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole is c1ccc2c(c1)c1c(n2CC2CCCC2)CCNC1.
What is the InChIKey of 5-(cyclopentylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The InChIKey is IWBOXGBOEYSDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-6-13(5-1)12-19-16-8-4-3-7-14(16)15-11-18-10-9-17(15)19/h3-4,7-8,13,18H,1-2,5-6,9-12H2.
What are the key properties of 5-(cyclopentylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
5-(cyclopentylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole has a molecular weight of 254.38 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 156776177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).