1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde

C20H21N3O2 — CID 146582980

IUPAC1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde
SMILESO=Cc1cnc(N2CCCC3(CCOC3)C2)c2c1[nH]c1ccccc12
InChIInChI=1S/C20H21N3O2/c24-11-14-10-21-19(17-15-4-1-2-5-16(15)22-18(14)17)23-8-3-6-20(12-23)7-9-25-13-20/h1-2,4-5,10-11,22H,3,6-9,12-13H2
InChIKeyRJVFLFQRQXILQM-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.54
Rot. Bonds2

About 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde

1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde (PubChem CID 146582980) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde
PubChem CID146582980
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde
SMILESO=Cc1cnc(N2CCCC3(CCOC3)C2)c2c1[nH]c1ccccc12
InChIInChI=1S/C20H21N3O2/c24-11-14-10-21-19(17-15-4-1-2-5-16(15)22-18(14)17)23-8-3-6-20(12-23)7-9-25-13-20/h1-2,4-5,10-11,22H,3,6-9,12-13H2
InChIKeyRJVFLFQRQXILQM-UHFFFAOYSA-N
XLogP3.54
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde?
The IUPAC name of 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde (CID 146582980) is 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde.
What is the SMILES notation for 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde?
The canonical SMILES for 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde is O=Cc1cnc(N2CCCC3(CCOC3)C2)c2c1[nH]c1ccccc12.
What is the InChIKey of 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde?
The InChIKey is RJVFLFQRQXILQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-11-14-10-21-19(17-15-4-1-2-5-16(15)22-18(14)17)23-8-3-6-20(12-23)7-9-25-13-20/h1-2,4-5,10-11,22H,3,6-9,12-13H2.
What are the key properties of 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde?
1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde has a molecular weight of 335.41 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde is sourced from PubChem (CID 146582980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).