4-(cyclohexylamino)benzo[h]chromen-2-one

C19H19NO2 — CID 11033696

IUPAC4-(cyclohexylamino)benzo[h]chromen-2-one
SMILESO=c1cc(NC2CCCCC2)c2ccc3ccccc3c2o1
InChIInChI=1S/C19H19NO2/c21-18-12-17(20-14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)19(16)22-18/h4-6,9-12,14,20H,1-3,7-8H2
InChIKeyNNLXYRJOKKURAJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.69
Rot. Bonds2

About 4-(cyclohexylamino)benzo[h]chromen-2-one

4-(cyclohexylamino)benzo[h]chromen-2-one (PubChem CID 11033696) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(cyclohexylamino)benzo[h]chromen-2-one.

Molecular Properties

Compound Name4-(cyclohexylamino)benzo[h]chromen-2-one
PubChem CID11033696
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name4-(cyclohexylamino)benzo[h]chromen-2-one
SMILESO=c1cc(NC2CCCCC2)c2ccc3ccccc3c2o1
InChIInChI=1S/C19H19NO2/c21-18-12-17(20-14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)19(16)22-18/h4-6,9-12,14,20H,1-3,7-8H2
InChIKeyNNLXYRJOKKURAJ-UHFFFAOYSA-N
XLogP4.69
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)benzo[h]chromen-2-one?
The IUPAC name of 4-(cyclohexylamino)benzo[h]chromen-2-one (CID 11033696) is 4-(cyclohexylamino)benzo[h]chromen-2-one.
What is the SMILES notation for 4-(cyclohexylamino)benzo[h]chromen-2-one?
The canonical SMILES for 4-(cyclohexylamino)benzo[h]chromen-2-one is O=c1cc(NC2CCCCC2)c2ccc3ccccc3c2o1.
What is the InChIKey of 4-(cyclohexylamino)benzo[h]chromen-2-one?
The InChIKey is NNLXYRJOKKURAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c21-18-12-17(20-14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)19(16)22-18/h4-6,9-12,14,20H,1-3,7-8H2.
What are the key properties of 4-(cyclohexylamino)benzo[h]chromen-2-one?
4-(cyclohexylamino)benzo[h]chromen-2-one has a molecular weight of 293.37 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)benzo[h]chromen-2-one is sourced from PubChem (CID 11033696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).