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

C15H12N2O4 — CID 121238074

IUPACN-ethyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide
SMILES[H]/N=c1\oc2ccc3ccc(=O)oc3c2cc1C(=O)NCC
InChIInChI=1S/C15H12N2O4/c1-2-17-15(19)10-7-9-11(20-14(10)16)5-3-8-4-6-12(18)21-13(8)9/h3-7,16H,2H2,1H3,(H,17,19)/b16-14-
InChIKeyURLVBNPLRZRPKI-PEZBUJJGSA-N
MW284.27 g/mol
LogP1.77
Rot. Bonds2

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

N-ethyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide (PubChem CID 121238074) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is N-ethyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide.

Molecular Properties

Compound NameN-ethyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide
PubChem CID121238074
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC NameN-ethyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide
SMILES[H]/N=c1\oc2ccc3ccc(=O)oc3c2cc1C(=O)NCC
InChIInChI=1S/C15H12N2O4/c1-2-17-15(19)10-7-9-11(20-14(10)16)5-3-8-4-6-12(18)21-13(8)9/h3-7,16H,2H2,1H3,(H,17,19)/b16-14-
InChIKeyURLVBNPLRZRPKI-PEZBUJJGSA-N
XLogP1.77
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.77
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 N-ethyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide?
The IUPAC name of N-ethyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide (CID 121238074) is N-ethyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide.
What is the SMILES notation for N-ethyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide?
The canonical SMILES for N-ethyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide is [H]/N=c1\oc2ccc3ccc(=O)oc3c2cc1C(=O)NCC.
What is the InChIKey of N-ethyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide?
The InChIKey is URLVBNPLRZRPKI-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-2-17-15(19)10-7-9-11(20-14(10)16)5-3-8-4-6-12(18)21-13(8)9/h3-7,16H,2H2,1H3,(H,17,19)/b16-14-.
What are the key properties of N-ethyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide?
N-ethyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide has a molecular weight of 284.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide is sourced from PubChem (CID 121238074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).