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

C16H12N2O4 — CID 121238076

IUPACN-cyclopropyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide
SMILES[H]/N=c1\oc2ccc3ccc(=O)oc3c2cc1C(=O)NC1CC1
InChIInChI=1S/C16H12N2O4/c17-15-11(16(20)18-9-3-4-9)7-10-12(21-15)5-1-8-2-6-13(19)22-14(8)10/h1-2,5-7,9,17H,3-4H2,(H,18,20)/b17-15-
InChIKeyWHDWGSGJCBHCKB-ICFOKQHNSA-N
MW296.28 g/mol
LogP1.91
Rot. Bonds2

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

N-cyclopropyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide (PubChem CID 121238076) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-cyclopropyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide
PubChem CID121238076
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC NameN-cyclopropyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide
SMILES[H]/N=c1\oc2ccc3ccc(=O)oc3c2cc1C(=O)NC1CC1
InChIInChI=1S/C16H12N2O4/c17-15-11(16(20)18-9-3-4-9)7-10-12(21-15)5-1-8-2-6-13(19)22-14(8)10/h1-2,5-7,9,17H,3-4H2,(H,18,20)/b17-15-
InChIKeyWHDWGSGJCBHCKB-ICFOKQHNSA-N
XLogP1.91
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.91
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-cyclopropyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide?
The IUPAC name of N-cyclopropyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide (CID 121238076) is N-cyclopropyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide.
What is the SMILES notation for N-cyclopropyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide?
The canonical SMILES for N-cyclopropyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide is [H]/N=c1\oc2ccc3ccc(=O)oc3c2cc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide?
The InChIKey is WHDWGSGJCBHCKB-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H12N2O4/c17-15-11(16(20)18-9-3-4-9)7-10-12(21-15)5-1-8-2-6-13(19)22-14(8)10/h1-2,5-7,9,17H,3-4H2,(H,18,20)/b17-15-.
What are the key properties of N-cyclopropyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide?
N-cyclopropyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide is sourced from PubChem (CID 121238076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).