(4,7-dihydroxy-2-oxochromen-3-yl)carbamic acid

C10H7NO6 — CID 123577970

IUPAC(4,7-dihydroxy-2-oxochromen-3-yl)carbamic acid
SMILESO=C(O)Nc1c(O)c2ccc(O)cc2oc1=O
InChIInChI=1S/C10H7NO6/c12-4-1-2-5-6(3-4)17-9(14)7(8(5)13)11-10(15)16/h1-3,11-13H,(H,15,16)
InChIKeySZNUIPQTYNULPE-UHFFFAOYSA-N
MW237.17 g/mol
LogP1.29
Rot. Bonds1

About (4,7-dihydroxy-2-oxochromen-3-yl)carbamic acid

(4,7-dihydroxy-2-oxochromen-3-yl)carbamic acid (PubChem CID 123577970) has the molecular formula C10H7NO6 and a molecular weight of 237.17 g/mol. Its IUPAC name is (4,7-dihydroxy-2-oxochromen-3-yl)carbamic acid.

Molecular Properties

Compound Name(4,7-dihydroxy-2-oxochromen-3-yl)carbamic acid
PubChem CID123577970
Molecular FormulaC10H7NO6
Molecular Weight237.17 g/mol
Exact Mass237.03
IUPAC Name(4,7-dihydroxy-2-oxochromen-3-yl)carbamic acid
SMILESO=C(O)Nc1c(O)c2ccc(O)cc2oc1=O
InChIInChI=1S/C10H7NO6/c12-4-1-2-5-6(3-4)17-9(14)7(8(5)13)11-10(15)16/h1-3,11-13H,(H,15,16)
InChIKeySZNUIPQTYNULPE-UHFFFAOYSA-N
XLogP1.29
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4,7-dihydroxychromen-2-one
CID 54691343
4,7-dihydroxy-2-oxochromene-3-carboxamide
CID 54698717
4,7-dihydroxy-2-oxochromene-3-carbaldehyde
CID 137208579
2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide
CID 54695489
(4,7-dihydroxy-2-oxochromen-3-yl) acetate
CID 54735281
N-(4,7-dihydroxy-2-oxochromen-3-yl)-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide
CID 154091225
3-benzyl-4,7-dihydroxychromen-2-one
CID 54682330
tert-butyl N-[(2S)-1-[(4,7-dihydroxy-2-oxochromen-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 164624600
4-ethyl-7-hydroxy-3-methylchromen-2-one
CID 13309299
5-(7-hydroxy-4-methyl-2-oxochromen-3-yl)pentanoic acid
CID 174692829
7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
CID 10473941
7-hydroxy-4-methyl-3-phosphanylchromen-2-one
CID 88515701

Frequently Asked Questions

What is the IUPAC name of (4,7-dihydroxy-2-oxochromen-3-yl)carbamic acid?
The IUPAC name of (4,7-dihydroxy-2-oxochromen-3-yl)carbamic acid (CID 123577970) is (4,7-dihydroxy-2-oxochromen-3-yl)carbamic acid.
What is the SMILES notation for (4,7-dihydroxy-2-oxochromen-3-yl)carbamic acid?
The canonical SMILES for (4,7-dihydroxy-2-oxochromen-3-yl)carbamic acid is O=C(O)Nc1c(O)c2ccc(O)cc2oc1=O.
What is the InChIKey of (4,7-dihydroxy-2-oxochromen-3-yl)carbamic acid?
The InChIKey is SZNUIPQTYNULPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO6/c12-4-1-2-5-6(3-4)17-9(14)7(8(5)13)11-10(15)16/h1-3,11-13H,(H,15,16).
What are the key properties of (4,7-dihydroxy-2-oxochromen-3-yl)carbamic acid?
(4,7-dihydroxy-2-oxochromen-3-yl)carbamic acid has a molecular weight of 237.17 g/mol, XLogP of 1.29, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7-dihydroxy-2-oxochromen-3-yl)carbamic acid is sourced from PubChem (CID 123577970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).