2-(3-aminocyclohexyl)benzo[h]chromen-4-one

C19H19NO2 — CID 155541219

IUPAC2-(3-aminocyclohexyl)benzo[h]chromen-4-one
SMILESNC1CCCC(c2cc(=O)c3ccc4ccccc4c3o2)C1
InChIInChI=1S/C19H19NO2/c20-14-6-3-5-13(10-14)18-11-17(21)16-9-8-12-4-1-2-7-15(12)19(16)22-18/h1-2,4,7-9,11,13-14H,3,5-6,10,20H2
InChIKeyLGISYBPZLMJKNX-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.93
Rot. Bonds1

About 2-(3-aminocyclohexyl)benzo[h]chromen-4-one

2-(3-aminocyclohexyl)benzo[h]chromen-4-one (PubChem CID 155541219) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)benzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)benzo[h]chromen-4-one
PubChem CID155541219
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-(3-aminocyclohexyl)benzo[h]chromen-4-one
SMILESNC1CCCC(c2cc(=O)c3ccc4ccccc4c3o2)C1
InChIInChI=1S/C19H19NO2/c20-14-6-3-5-13(10-14)18-11-17(21)16-9-8-12-4-1-2-7-15(12)19(16)22-18/h1-2,4,7-9,11,13-14H,3,5-6,10,20H2
InChIKeyLGISYBPZLMJKNX-UHFFFAOYSA-N
XLogP3.93
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)benzo[h]chromen-4-one?
The IUPAC name of 2-(3-aminocyclohexyl)benzo[h]chromen-4-one (CID 155541219) is 2-(3-aminocyclohexyl)benzo[h]chromen-4-one.
What is the SMILES notation for 2-(3-aminocyclohexyl)benzo[h]chromen-4-one?
The canonical SMILES for 2-(3-aminocyclohexyl)benzo[h]chromen-4-one is NC1CCCC(c2cc(=O)c3ccc4ccccc4c3o2)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)benzo[h]chromen-4-one?
The InChIKey is LGISYBPZLMJKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c20-14-6-3-5-13(10-14)18-11-17(21)16-9-8-12-4-1-2-7-15(12)19(16)22-18/h1-2,4,7-9,11,13-14H,3,5-6,10,20H2.
What are the key properties of 2-(3-aminocyclohexyl)benzo[h]chromen-4-one?
2-(3-aminocyclohexyl)benzo[h]chromen-4-one has a molecular weight of 293.37 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)benzo[h]chromen-4-one is sourced from PubChem (CID 155541219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).