4-(cyclohexylamino)chromen-2-one

C15H17NO2 — CID 2048744

IUPAC4-(cyclohexylamino)chromen-2-one
SMILESO=c1cc(NC2CCCCC2)c2ccccc2o1
InChIInChI=1S/C15H17NO2/c17-15-10-13(16-11-6-2-1-3-7-11)12-8-4-5-9-14(12)18-15/h4-5,8-11,16H,1-3,6-7H2
InChIKeyRLIXVONFOXAXLN-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.54
Rot. Bonds2

About 4-(cyclohexylamino)chromen-2-one

4-(cyclohexylamino)chromen-2-one (PubChem CID 2048744) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(cyclohexylamino)chromen-2-one.

Molecular Properties

Compound Name4-(cyclohexylamino)chromen-2-one
PubChem CID2048744
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-(cyclohexylamino)chromen-2-one
SMILESO=c1cc(NC2CCCCC2)c2ccccc2o1
InChIInChI=1S/C15H17NO2/c17-15-10-13(16-11-6-2-1-3-7-11)12-8-4-5-9-14(12)18-15/h4-5,8-11,16H,1-3,6-7H2
InChIKeyRLIXVONFOXAXLN-UHFFFAOYSA-N
XLogP3.54
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(cyclohexylamino)chromen-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-(cyclohexylamino)chromen-2-one?
The IUPAC name of 4-(cyclohexylamino)chromen-2-one (CID 2048744) is 4-(cyclohexylamino)chromen-2-one.
What is the SMILES notation for 4-(cyclohexylamino)chromen-2-one?
The canonical SMILES for 4-(cyclohexylamino)chromen-2-one is O=c1cc(NC2CCCCC2)c2ccccc2o1.
What is the InChIKey of 4-(cyclohexylamino)chromen-2-one?
The InChIKey is RLIXVONFOXAXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-15-10-13(16-11-6-2-1-3-7-11)12-8-4-5-9-14(12)18-15/h4-5,8-11,16H,1-3,6-7H2.
What are the key properties of 4-(cyclohexylamino)chromen-2-one?
4-(cyclohexylamino)chromen-2-one has a molecular weight of 243.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)chromen-2-one is sourced from PubChem (CID 2048744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).