2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide

C12H11NO4 — CID 91296883

IUPAC2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide
SMILESCc1cc(=O)oc2c(NC(=O)CO)cccc12
InChIInChI=1S/C12H11NO4/c1-7-5-11(16)17-12-8(7)3-2-4-9(12)13-10(15)6-14/h2-5,14H,6H2,1H3,(H,13,15)
InChIKeyOVAOMDVYMFXNLN-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.03
Rot. Bonds2

About 2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide

2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide (PubChem CID 91296883) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide.

Molecular Properties

Compound Name2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide
PubChem CID91296883
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide
SMILESCc1cc(=O)oc2c(NC(=O)CO)cccc12
InChIInChI=1S/C12H11NO4/c1-7-5-11(16)17-12-8(7)3-2-4-9(12)13-10(15)6-14/h2-5,14H,6H2,1H3,(H,13,15)
InChIKeyOVAOMDVYMFXNLN-UHFFFAOYSA-N
XLogP1.03
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.03
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

N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
8-iodo-4-methylchromen-2-one
CID 130067017
N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide
CID 123237382
2-(4-methyl-2-oxochromen-8-yl)oxyacetamide
CID 87996295
4-methyl-8-propan-2-ylchromen-2-one
CID 71446036
methyl 8-methyl-2-oxochromene-4-carboxylate
CID 12008880
N-dibenzofuran-4-ylpropanamide
CID 138533625
2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 8563847
N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylphenyl]acetamide
CID 34068677
4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one
CID 631083
(2,3-dimethyl-1-benzofuran-7-yl)carbamic acid
CID 174281750
2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide
CID 3058817

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide?
The IUPAC name of 2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide (CID 91296883) is 2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide.
What is the SMILES notation for 2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide?
The canonical SMILES for 2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide is Cc1cc(=O)oc2c(NC(=O)CO)cccc12.
What is the InChIKey of 2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide?
The InChIKey is OVAOMDVYMFXNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-7-5-11(16)17-12-8(7)3-2-4-9(12)13-10(15)6-14/h2-5,14H,6H2,1H3,(H,13,15).
What are the key properties of 2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide?
2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide has a molecular weight of 233.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide is sourced from PubChem (CID 91296883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).