2-amino-4-oxobenzo[h]chromene-3-carbaldehyde

C14H9NO3 — CID 164670391

IUPAC2-amino-4-oxobenzo[h]chromene-3-carbaldehyde
SMILESNc1oc2c(ccc3ccccc32)c(=O)c1C=O
InChIInChI=1S/C14H9NO3/c15-14-11(7-16)12(17)10-6-5-8-3-1-2-4-9(8)13(10)18-14/h1-7H,15H2
InChIKeyJOWHZQNNRVEWBE-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.34
Rot. Bonds1

About 2-amino-4-oxobenzo[h]chromene-3-carbaldehyde

2-amino-4-oxobenzo[h]chromene-3-carbaldehyde (PubChem CID 164670391) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-amino-4-oxobenzo[h]chromene-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-oxobenzo[h]chromene-3-carbaldehyde
PubChem CID164670391
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name2-amino-4-oxobenzo[h]chromene-3-carbaldehyde
SMILESNc1oc2c(ccc3ccccc32)c(=O)c1C=O
InChIInChI=1S/C14H9NO3/c15-14-11(7-16)12(17)10-6-5-8-3-1-2-4-9(8)13(10)18-14/h1-7H,15H2
InChIKeyJOWHZQNNRVEWBE-UHFFFAOYSA-N
XLogP2.34
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxobenzo[h]chromene-4-carbaldehyde
CID 11989493
2-[4-(dimethylamino)phenyl]-3-hydroxybenzo[h]chromen-4-one
CID 2988186
phenanthrene-1,2,3,4-tetracarbaldehyde
CID 87124454
3-aminobenzo[g][1]benzofuran-2-carboxylic acid
CID 174973228
benzo[g][1,3]benzoxazole-2-carbaldehyde
CID 121009106
10-methylnaphtho[1,2-b][1]benzofuran
CID 58510874
2-chloronaphthalene-1-carbaldehyde
CID 19065818
2-(4-fluoro-3-methoxyphenyl)-3-methoxybenzo[h]chromen-4-one
CID 73349189
4-hydroxy-3-(naphthalen-1-yliminomethyl)benzo[h]chromen-2-one
CID 135437637
2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran
CID 11565470
3-hydroxy-4-methylbenzo[h]chromen-2-one
CID 154018255
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxobenzo[h]chromene-3-carbaldehyde?
The IUPAC name of 2-amino-4-oxobenzo[h]chromene-3-carbaldehyde (CID 164670391) is 2-amino-4-oxobenzo[h]chromene-3-carbaldehyde.
What is the SMILES notation for 2-amino-4-oxobenzo[h]chromene-3-carbaldehyde?
The canonical SMILES for 2-amino-4-oxobenzo[h]chromene-3-carbaldehyde is Nc1oc2c(ccc3ccccc32)c(=O)c1C=O.
What is the InChIKey of 2-amino-4-oxobenzo[h]chromene-3-carbaldehyde?
The InChIKey is JOWHZQNNRVEWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c15-14-11(7-16)12(17)10-6-5-8-3-1-2-4-9(8)13(10)18-14/h1-7H,15H2.
What are the key properties of 2-amino-4-oxobenzo[h]chromene-3-carbaldehyde?
2-amino-4-oxobenzo[h]chromene-3-carbaldehyde has a molecular weight of 239.23 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxobenzo[h]chromene-3-carbaldehyde is sourced from PubChem (CID 164670391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).