4-(aminomethyl)-7-methoxychromen-2-one

C11H11NO3 — CID 8758226

IUPAC4-(aminomethyl)-7-methoxychromen-2-one
SMILESCOc1ccc2c(CN)cc(=O)oc2c1
InChIInChI=1S/C11H11NO3/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5H,6,12H2,1H3
InChIKeyJTWMBPZRYBLNNG-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.26
Rot. Bonds2

About 4-(aminomethyl)-7-methoxychromen-2-one

4-(aminomethyl)-7-methoxychromen-2-one (PubChem CID 8758226) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-(aminomethyl)-7-methoxychromen-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-7-methoxychromen-2-one
PubChem CID8758226
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-(aminomethyl)-7-methoxychromen-2-one
SMILESCOc1ccc2c(CN)cc(=O)oc2c1
InChIInChI=1S/C11H11NO3/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5H,6,12H2,1H3
InChIKeyJTWMBPZRYBLNNG-UHFFFAOYSA-N
XLogP1.26
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-7-methoxychromen-2-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 4-(aminomethyl)-7-methoxychromen-2-one?
The IUPAC name of 4-(aminomethyl)-7-methoxychromen-2-one (CID 8758226) is 4-(aminomethyl)-7-methoxychromen-2-one.
What is the SMILES notation for 4-(aminomethyl)-7-methoxychromen-2-one?
The canonical SMILES for 4-(aminomethyl)-7-methoxychromen-2-one is COc1ccc2c(CN)cc(=O)oc2c1.
What is the InChIKey of 4-(aminomethyl)-7-methoxychromen-2-one?
The InChIKey is JTWMBPZRYBLNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5H,6,12H2,1H3.
What are the key properties of 4-(aminomethyl)-7-methoxychromen-2-one?
4-(aminomethyl)-7-methoxychromen-2-one has a molecular weight of 205.21 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-7-methoxychromen-2-one is sourced from PubChem (CID 8758226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).