4,7-dihydroxy-2-oxochromene-3-carboxamide

C10H7NO5 — CID 54698717

IUPAC4,7-dihydroxy-2-oxochromene-3-carboxamide
SMILESNC(=O)c1c(O)c2ccc(O)cc2oc1=O
InChIInChI=1S/C10H7NO5/c11-9(14)7-8(13)5-2-1-4(12)3-6(5)16-10(7)15/h1-3,12-13H,(H2,11,14)
InChIKeySIDJYUZYTNRPCY-UHFFFAOYSA-N
MW221.17 g/mol
LogP0.30
Rot. Bonds1

About 4,7-dihydroxy-2-oxochromene-3-carboxamide

4,7-dihydroxy-2-oxochromene-3-carboxamide (PubChem CID 54698717) has the molecular formula C10H7NO5 and a molecular weight of 221.17 g/mol. Its IUPAC name is 4,7-dihydroxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name4,7-dihydroxy-2-oxochromene-3-carboxamide
PubChem CID54698717
Molecular FormulaC10H7NO5
Molecular Weight221.17 g/mol
Exact Mass221.03
IUPAC Name4,7-dihydroxy-2-oxochromene-3-carboxamide
SMILESNC(=O)c1c(O)c2ccc(O)cc2oc1=O
InChIInChI=1S/C10H7NO5/c11-9(14)7-8(13)5-2-1-4(12)3-6(5)16-10(7)15/h1-3,12-13H,(H2,11,14)
InChIKeySIDJYUZYTNRPCY-UHFFFAOYSA-N
XLogP0.30
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide
CID 54695489
3-amino-4,7-dihydroxychromen-2-one
CID 54691343
4,7-dihydroxy-2-oxochromene-3-carbaldehyde
CID 137208579
(4,7-dihydroxy-2-oxochromen-3-yl)carbamic acid
CID 123577970
(4,7-dihydroxy-2-oxochromen-3-yl) acetate
CID 54735281
3-benzyl-4,7-dihydroxychromen-2-one
CID 54682330
acetic acid;2-(3,6-dihydroxy-1-benzofuran-2-yl)acetamide
CID 23621309
3,7,8-trihydroxybenzo[c]chromen-6-one
CID 72793787
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
CID 6921838
7-hydroxy-3,4-bis(hydroxymethyl)chromen-2-one
CID 58676736
9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one
CID 11510769
7-hydroxy-3,4-dinitrochromen-2-one
CID 87998789

Frequently Asked Questions

What is the IUPAC name of 4,7-dihydroxy-2-oxochromene-3-carboxamide?
The IUPAC name of 4,7-dihydroxy-2-oxochromene-3-carboxamide (CID 54698717) is 4,7-dihydroxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for 4,7-dihydroxy-2-oxochromene-3-carboxamide?
The canonical SMILES for 4,7-dihydroxy-2-oxochromene-3-carboxamide is NC(=O)c1c(O)c2ccc(O)cc2oc1=O.
What is the InChIKey of 4,7-dihydroxy-2-oxochromene-3-carboxamide?
The InChIKey is SIDJYUZYTNRPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO5/c11-9(14)7-8(13)5-2-1-4(12)3-6(5)16-10(7)15/h1-3,12-13H,(H2,11,14).
What are the key properties of 4,7-dihydroxy-2-oxochromene-3-carboxamide?
4,7-dihydroxy-2-oxochromene-3-carboxamide has a molecular weight of 221.17 g/mol, XLogP of 0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydroxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 54698717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).