8-imino-N-methyl-2-oxopyrano[2,3-f]chromene-9-carboxamide

C14H10N2O4 — CID 121238073

IUPAC8-imino-N-methyl-2-oxopyrano[2,3-f]chromene-9-carboxamide
SMILES[H]/N=c1\oc2ccc3ccc(=O)oc3c2cc1C(=O)NC
InChIInChI=1S/C14H10N2O4/c1-16-14(18)9-6-8-10(19-13(9)15)4-2-7-3-5-11(17)20-12(7)8/h2-6,15H,1H3,(H,16,18)/b15-13-
InChIKeyOKDIMJSHSAJWJM-SQFISAMPSA-N
MW270.24 g/mol
LogP1.38
Rot. Bonds1

About 8-imino-N-methyl-2-oxopyrano[2,3-f]chromene-9-carboxamide

8-imino-N-methyl-2-oxopyrano[2,3-f]chromene-9-carboxamide (PubChem CID 121238073) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 8-imino-N-methyl-2-oxopyrano[2,3-f]chromene-9-carboxamide.

Molecular Properties

Compound Name8-imino-N-methyl-2-oxopyrano[2,3-f]chromene-9-carboxamide
PubChem CID121238073
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name8-imino-N-methyl-2-oxopyrano[2,3-f]chromene-9-carboxamide
SMILES[H]/N=c1\oc2ccc3ccc(=O)oc3c2cc1C(=O)NC
InChIInChI=1S/C14H10N2O4/c1-16-14(18)9-6-8-10(19-13(9)15)4-2-7-3-5-11(17)20-12(7)8/h2-6,15H,1H3,(H,16,18)/b15-13-
InChIKeyOKDIMJSHSAJWJM-SQFISAMPSA-N
XLogP1.38
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-imino-N-methyl-2-oxopyrano[2,3-f]chromene-9-carboxamide?
The IUPAC name of 8-imino-N-methyl-2-oxopyrano[2,3-f]chromene-9-carboxamide (CID 121238073) is 8-imino-N-methyl-2-oxopyrano[2,3-f]chromene-9-carboxamide.
What is the SMILES notation for 8-imino-N-methyl-2-oxopyrano[2,3-f]chromene-9-carboxamide?
The canonical SMILES for 8-imino-N-methyl-2-oxopyrano[2,3-f]chromene-9-carboxamide is [H]/N=c1\oc2ccc3ccc(=O)oc3c2cc1C(=O)NC.
What is the InChIKey of 8-imino-N-methyl-2-oxopyrano[2,3-f]chromene-9-carboxamide?
The InChIKey is OKDIMJSHSAJWJM-SQFISAMPSA-N. The full InChI is InChI=1S/C14H10N2O4/c1-16-14(18)9-6-8-10(19-13(9)15)4-2-7-3-5-11(17)20-12(7)8/h2-6,15H,1H3,(H,16,18)/b15-13-.
What are the key properties of 8-imino-N-methyl-2-oxopyrano[2,3-f]chromene-9-carboxamide?
8-imino-N-methyl-2-oxopyrano[2,3-f]chromene-9-carboxamide has a molecular weight of 270.24 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imino-N-methyl-2-oxopyrano[2,3-f]chromene-9-carboxamide is sourced from PubChem (CID 121238073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).