8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

C13H16N2O — CID 4777842

IUPAC8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCCOc1ccc2[nH]c3c(c2c1)CNCC3
InChIInChI=1S/C13H16N2O/c1-2-16-9-3-4-12-10(7-9)11-8-14-6-5-13(11)15-12/h3-4,7,14-15H,2,5-6,8H2,1H3
InChIKeyMQVSQAVRUZMEJP-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.21
Rot. Bonds2

About 8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 4777842) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID4777842
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCCOc1ccc2[nH]c3c(c2c1)CNCC3
InChIInChI=1S/C13H16N2O/c1-2-16-9-3-4-12-10(7-9)11-8-14-6-5-13(11)15-12/h3-4,7,14-15H,2,5-6,8H2,1H3
InChIKeyMQVSQAVRUZMEJP-UHFFFAOYSA-N
XLogP2.21
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
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 8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (CID 4777842) is 8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is CCOc1ccc2[nH]c3c(c2c1)CNCC3.
What is the InChIKey of 8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is MQVSQAVRUZMEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-16-9-3-4-12-10(7-9)11-8-14-6-5-13(11)15-12/h3-4,7,14-15H,2,5-6,8H2,1H3.
What are the key properties of 8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 216.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 4777842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).