3-methoxy-11H-chromeno[4,3-b]indol-6-one

C16H11NO3 — CID 1042773

IUPAC3-methoxy-11H-chromeno[4,3-b]indol-6-one
SMILESCOc1ccc2c(c1)oc(=O)c1c3ccccc3[nH]c21
InChIInChI=1S/C16H11NO3/c1-19-9-6-7-11-13(8-9)20-16(18)14-10-4-2-3-5-12(10)17-15(11)14/h2-8,17H,1H3
InChIKeySSHNCYWELHWXQN-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.44
Rot. Bonds1

About 3-methoxy-11H-chromeno[4,3-b]indol-6-one

3-methoxy-11H-chromeno[4,3-b]indol-6-one (PubChem CID 1042773) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-methoxy-11H-chromeno[4,3-b]indol-6-one.

Molecular Properties

Compound Name3-methoxy-11H-chromeno[4,3-b]indol-6-one
PubChem CID1042773
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name3-methoxy-11H-chromeno[4,3-b]indol-6-one
SMILESCOc1ccc2c(c1)oc(=O)c1c3ccccc3[nH]c21
InChIInChI=1S/C16H11NO3/c1-19-9-6-7-11-13(8-9)20-16(18)14-10-4-2-3-5-12(10)17-15(11)14/h2-8,17H,1H3
InChIKeySSHNCYWELHWXQN-UHFFFAOYSA-N
XLogP3.44
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methoxy-11H-chromeno[4,3-b]indol-6-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 3-methoxy-11H-chromeno[4,3-b]indol-6-one?
The IUPAC name of 3-methoxy-11H-chromeno[4,3-b]indol-6-one (CID 1042773) is 3-methoxy-11H-chromeno[4,3-b]indol-6-one.
What is the SMILES notation for 3-methoxy-11H-chromeno[4,3-b]indol-6-one?
The canonical SMILES for 3-methoxy-11H-chromeno[4,3-b]indol-6-one is COc1ccc2c(c1)oc(=O)c1c3ccccc3[nH]c21.
What is the InChIKey of 3-methoxy-11H-chromeno[4,3-b]indol-6-one?
The InChIKey is SSHNCYWELHWXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c1-19-9-6-7-11-13(8-9)20-16(18)14-10-4-2-3-5-12(10)17-15(11)14/h2-8,17H,1H3.
What are the key properties of 3-methoxy-11H-chromeno[4,3-b]indol-6-one?
3-methoxy-11H-chromeno[4,3-b]indol-6-one has a molecular weight of 265.27 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-11H-chromeno[4,3-b]indol-6-one is sourced from PubChem (CID 1042773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).