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

C19H18N2O4 — CID 121238077

IUPACN-cyclohexyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide
SMILES[H]/N=c1\oc2ccc3ccc(=O)oc3c2cc1C(=O)NC1CCCCC1
InChIInChI=1S/C19H18N2O4/c20-18-14(19(23)21-12-4-2-1-3-5-12)10-13-15(24-18)8-6-11-7-9-16(22)25-17(11)13/h6-10,12,20H,1-5H2,(H,21,23)/b20-18-
InChIKeyZYACJJLWCCLBLT-ZZEZOPTASA-N
MW338.36 g/mol
LogP3.08
Rot. Bonds2

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

N-cyclohexyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide (PubChem CID 121238077) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-cyclohexyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide
PubChem CID121238077
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-cyclohexyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide
SMILES[H]/N=c1\oc2ccc3ccc(=O)oc3c2cc1C(=O)NC1CCCCC1
InChIInChI=1S/C19H18N2O4/c20-18-14(19(23)21-12-4-2-1-3-5-12)10-13-15(24-18)8-6-11-7-9-16(22)25-17(11)13/h6-10,12,20H,1-5H2,(H,21,23)/b20-18-
InChIKeyZYACJJLWCCLBLT-ZZEZOPTASA-N
XLogP3.08
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.08
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-cyclohexyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide?
The IUPAC name of N-cyclohexyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide (CID 121238077) is N-cyclohexyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide.
What is the SMILES notation for N-cyclohexyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide?
The canonical SMILES for N-cyclohexyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide is [H]/N=c1\oc2ccc3ccc(=O)oc3c2cc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide?
The InChIKey is ZYACJJLWCCLBLT-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H18N2O4/c20-18-14(19(23)21-12-4-2-1-3-5-12)10-13-15(24-18)8-6-11-7-9-16(22)25-17(11)13/h6-10,12,20H,1-5H2,(H,21,23)/b20-18-.
What are the key properties of N-cyclohexyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide?
N-cyclohexyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-8-imino-2-oxopyrano[2,3-f]chromene-9-carboxamide is sourced from PubChem (CID 121238077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).