4-(2-aminoethylamino)chromen-2-one

C11H12N2O2 — CID 119085544

IUPAC4-(2-aminoethylamino)chromen-2-one
SMILESNCCNc1cc(=O)oc2ccccc12
InChIInChI=1S/C11H12N2O2/c12-5-6-13-9-7-11(14)15-10-4-2-1-3-8(9)10/h1-4,7,13H,5-6,12H2
InChIKeyZJFSVXAAFXGVHZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.16
Rot. Bonds3

About 4-(2-aminoethylamino)chromen-2-one

4-(2-aminoethylamino)chromen-2-one (PubChem CID 119085544) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(2-aminoethylamino)chromen-2-one.

Molecular Properties

Compound Name4-(2-aminoethylamino)chromen-2-one
PubChem CID119085544
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(2-aminoethylamino)chromen-2-one
SMILESNCCNc1cc(=O)oc2ccccc12
InChIInChI=1S/C11H12N2O2/c12-5-6-13-9-7-11(14)15-10-4-2-1-3-8(9)10/h1-4,7,13H,5-6,12H2
InChIKeyZJFSVXAAFXGVHZ-UHFFFAOYSA-N
XLogP1.16
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(tert-butylamino)chromen-2-one
CID 101435366
4-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethylamino]chromen-2-one
CID 30342674
N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide
CID 30343075
N,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide
CID 30343078
4-[3-(4-naphthalen-1-ylpiperazin-1-yl)propylamino]chromen-2-one;hydrochloride
CID 121417612
4-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethylamino]chromen-2-one
CID 155549145
4-(3-chloro-4-fluoroanilino)chromen-2-one
CID 11312308
N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide
CID 30342817
4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethylamino]chromen-2-one
CID 30342629
4-[2-[4-(2-iodobenzoyl)piperazin-1-yl]ethylamino]chromen-2-one
CID 30342449
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide
CID 30343425

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylamino)chromen-2-one?
The IUPAC name of 4-(2-aminoethylamino)chromen-2-one (CID 119085544) is 4-(2-aminoethylamino)chromen-2-one.
What is the SMILES notation for 4-(2-aminoethylamino)chromen-2-one?
The canonical SMILES for 4-(2-aminoethylamino)chromen-2-one is NCCNc1cc(=O)oc2ccccc12.
What is the InChIKey of 4-(2-aminoethylamino)chromen-2-one?
The InChIKey is ZJFSVXAAFXGVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-5-6-13-9-7-11(14)15-10-4-2-1-3-8(9)10/h1-4,7,13H,5-6,12H2.
What are the key properties of 4-(2-aminoethylamino)chromen-2-one?
4-(2-aminoethylamino)chromen-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylamino)chromen-2-one is sourced from PubChem (CID 119085544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).