4-aminochromen-2-one

C9H7NO2 — CID 820807

IUPAC4-aminochromen-2-one
SMILESNc1cc(=O)oc2ccccc12
InChIInChI=1S/C9H7NO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H,10H2
InChIKeyAHZAKFLOHIRCDU-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.38
Rot. Bonds

About 4-aminochromen-2-one

4-aminochromen-2-one (PubChem CID 820807) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-aminochromen-2-one.

Molecular Properties

Compound Name4-aminochromen-2-one
PubChem CID820807
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name4-aminochromen-2-one
SMILESNc1cc(=O)oc2ccccc12
InChIInChI=1S/C9H7NO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H,10H2
InChIKeyAHZAKFLOHIRCDU-UHFFFAOYSA-N
XLogP1.38
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-Amino-4-methylcoumarin
CID 92249
6-Amino-1,2-benzopyrone
CID 46153
4-Amino-3-nitro-2H-1-benzopyran-2-one
CID 38044
Coumarin, 3-amino-4-methylamino-
CID 42997
4-Morpholin-4-yl-chromen-2-one
CID 804048
Coumarin, 3,4-diamino-
CID 38046
5-Iodo-6-amino-1,2-benzopyrone
CID 72356
3-Aminocoumarin
CID 74217
6-(aminomethyl)-2H-chromen-2-one
CID 45485270
4-Piperidin-1-yl-chromen-2-one
CID 686127
4-(benzylamino)-2H-chromen-2-one
CID 825502
3-Amino-4-benzylaminocoumarin
CID 42999

Frequently Asked Questions

What is the IUPAC name of 4-aminochromen-2-one?
The IUPAC name of 4-aminochromen-2-one (CID 820807) is 4-aminochromen-2-one.
What is the SMILES notation for 4-aminochromen-2-one?
The canonical SMILES for 4-aminochromen-2-one is Nc1cc(=O)oc2ccccc12.
What is the InChIKey of 4-aminochromen-2-one?
The InChIKey is AHZAKFLOHIRCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H,10H2.
What are the key properties of 4-aminochromen-2-one?
4-aminochromen-2-one has a molecular weight of 161.16 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminochromen-2-one is sourced from PubChem (CID 820807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).