1-(2-aminoethyl)-9-methyl-3H-pyrano[3,2-e]indol-7-one

C14H14N2O2 — CID 24994402

IUPAC1-(2-aminoethyl)-9-methyl-3H-pyrano[3,2-e]indol-7-one
SMILESCc1cc(=O)oc2ccc3[nH]cc(CCN)c3c12
InChIInChI=1S/C14H14N2O2/c1-8-6-12(17)18-11-3-2-10-14(13(8)11)9(4-5-15)7-16-10/h2-3,6-7,16H,4-5,15H2,1H3
InChIKeyJWJUHBPXXIHIDF-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.08
Rot. Bonds2

About 1-(2-aminoethyl)-9-methyl-3H-pyrano[3,2-e]indol-7-one

1-(2-aminoethyl)-9-methyl-3H-pyrano[3,2-e]indol-7-one (PubChem CID 24994402) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(2-aminoethyl)-9-methyl-3H-pyrano[3,2-e]indol-7-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-9-methyl-3H-pyrano[3,2-e]indol-7-one
PubChem CID24994402
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-(2-aminoethyl)-9-methyl-3H-pyrano[3,2-e]indol-7-one
SMILESCc1cc(=O)oc2ccc3[nH]cc(CCN)c3c12
InChIInChI=1S/C14H14N2O2/c1-8-6-12(17)18-11-3-2-10-14(13(8)11)9(4-5-15)7-16-10/h2-3,6-7,16H,4-5,15H2,1H3
InChIKeyJWJUHBPXXIHIDF-UHFFFAOYSA-N
XLogP2.08
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-aminoethyl)-9-methyl-3H-pyrano[3,2-e]indol-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-9-methyl-3H-pyrano[3,2-e]indol-7-one?
The IUPAC name of 1-(2-aminoethyl)-9-methyl-3H-pyrano[3,2-e]indol-7-one (CID 24994402) is 1-(2-aminoethyl)-9-methyl-3H-pyrano[3,2-e]indol-7-one.
What is the SMILES notation for 1-(2-aminoethyl)-9-methyl-3H-pyrano[3,2-e]indol-7-one?
The canonical SMILES for 1-(2-aminoethyl)-9-methyl-3H-pyrano[3,2-e]indol-7-one is Cc1cc(=O)oc2ccc3[nH]cc(CCN)c3c12.
What is the InChIKey of 1-(2-aminoethyl)-9-methyl-3H-pyrano[3,2-e]indol-7-one?
The InChIKey is JWJUHBPXXIHIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8-6-12(17)18-11-3-2-10-14(13(8)11)9(4-5-15)7-16-10/h2-3,6-7,16H,4-5,15H2,1H3.
What are the key properties of 1-(2-aminoethyl)-9-methyl-3H-pyrano[3,2-e]indol-7-one?
1-(2-aminoethyl)-9-methyl-3H-pyrano[3,2-e]indol-7-one has a molecular weight of 242.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-9-methyl-3H-pyrano[3,2-e]indol-7-one is sourced from PubChem (CID 24994402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).