4,9-dimethoxy-5-methyl-7-oxofuro[3,2-g]chromene-6-carbohydrazide

C15H14N2O6 — CID 44820371

IUPAC4,9-dimethoxy-5-methyl-7-oxofuro[3,2-g]chromene-6-carbohydrazide
SMILESCOc1c2occc2c(OC)c2c(C)c(C(=O)NN)c(=O)oc12
InChIInChI=1S/C15H14N2O6/c1-6-8-10(20-2)7-4-5-22-11(7)13(21-3)12(8)23-15(19)9(6)14(18)17-16/h4-5H,16H2,1-3H3,(H,17,18)
InChIKeyNSWOXKLHAHPHCY-UHFFFAOYSA-N
MW318.29 g/mol
LogP1.47
Rot. Bonds3

About 4,9-dimethoxy-5-methyl-7-oxofuro[3,2-g]chromene-6-carbohydrazide

4,9-dimethoxy-5-methyl-7-oxofuro[3,2-g]chromene-6-carbohydrazide (PubChem CID 44820371) has the molecular formula C15H14N2O6 and a molecular weight of 318.29 g/mol. Its IUPAC name is 4,9-dimethoxy-5-methyl-7-oxofuro[3,2-g]chromene-6-carbohydrazide.

Molecular Properties

Compound Name4,9-dimethoxy-5-methyl-7-oxofuro[3,2-g]chromene-6-carbohydrazide
PubChem CID44820371
Molecular FormulaC15H14N2O6
Molecular Weight318.29 g/mol
Exact Mass318.09
IUPAC Name4,9-dimethoxy-5-methyl-7-oxofuro[3,2-g]chromene-6-carbohydrazide
SMILESCOc1c2occc2c(OC)c2c(C)c(C(=O)NN)c(=O)oc12
InChIInChI=1S/C15H14N2O6/c1-6-8-10(20-2)7-4-5-22-11(7)13(21-3)12(8)23-15(19)9(6)14(18)17-16/h4-5H,16H2,1-3H3,(H,17,18)
InChIKeyNSWOXKLHAHPHCY-UHFFFAOYSA-N
XLogP1.47
TPSA116.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,9-dimethoxy-5-methyl-7-oxofuro[3,2-g]chromene-6-carbohydrazide?
The IUPAC name of 4,9-dimethoxy-5-methyl-7-oxofuro[3,2-g]chromene-6-carbohydrazide (CID 44820371) is 4,9-dimethoxy-5-methyl-7-oxofuro[3,2-g]chromene-6-carbohydrazide.
What is the SMILES notation for 4,9-dimethoxy-5-methyl-7-oxofuro[3,2-g]chromene-6-carbohydrazide?
The canonical SMILES for 4,9-dimethoxy-5-methyl-7-oxofuro[3,2-g]chromene-6-carbohydrazide is COc1c2occc2c(OC)c2c(C)c(C(=O)NN)c(=O)oc12.
What is the InChIKey of 4,9-dimethoxy-5-methyl-7-oxofuro[3,2-g]chromene-6-carbohydrazide?
The InChIKey is NSWOXKLHAHPHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O6/c1-6-8-10(20-2)7-4-5-22-11(7)13(21-3)12(8)23-15(19)9(6)14(18)17-16/h4-5H,16H2,1-3H3,(H,17,18).
What are the key properties of 4,9-dimethoxy-5-methyl-7-oxofuro[3,2-g]chromene-6-carbohydrazide?
4,9-dimethoxy-5-methyl-7-oxofuro[3,2-g]chromene-6-carbohydrazide has a molecular weight of 318.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethoxy-5-methyl-7-oxofuro[3,2-g]chromene-6-carbohydrazide is sourced from PubChem (CID 44820371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).