8-[bis(prop-2-enyl)amino]-4-hydroxypyrano[3,2-c]chromene-2,5-dione

C18H15NO5 — CID 87601155

IUPAC8-[bis(prop-2-enyl)amino]-4-hydroxypyrano[3,2-c]chromene-2,5-dione
SMILESC=CCN(CC=C)c1ccc2c(c1)oc(=O)c1c(O)cc(=O)oc12
InChIInChI=1S/C18H15NO5/c1-3-7-19(8-4-2)11-5-6-12-14(9-11)23-18(22)16-13(20)10-15(21)24-17(12)16/h3-6,9-10,20H,1-2,7-8H2
InChIKeyAIJPTPFAEVHYDL-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.78
Rot. Bonds5

About 8-[bis(prop-2-enyl)amino]-4-hydroxypyrano[3,2-c]chromene-2,5-dione

8-[bis(prop-2-enyl)amino]-4-hydroxypyrano[3,2-c]chromene-2,5-dione (PubChem CID 87601155) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 8-[bis(prop-2-enyl)amino]-4-hydroxypyrano[3,2-c]chromene-2,5-dione.

Molecular Properties

Compound Name8-[bis(prop-2-enyl)amino]-4-hydroxypyrano[3,2-c]chromene-2,5-dione
PubChem CID87601155
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name8-[bis(prop-2-enyl)amino]-4-hydroxypyrano[3,2-c]chromene-2,5-dione
SMILESC=CCN(CC=C)c1ccc2c(c1)oc(=O)c1c(O)cc(=O)oc12
InChIInChI=1S/C18H15NO5/c1-3-7-19(8-4-2)11-5-6-12-14(9-11)23-18(22)16-13(20)10-15(21)24-17(12)16/h3-6,9-10,20H,1-2,7-8H2
InChIKeyAIJPTPFAEVHYDL-UHFFFAOYSA-N
XLogP2.78
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[bis(prop-2-enyl)amino]-4-hydroxypyrano[3,2-c]chromene-2,5-dione?
The IUPAC name of 8-[bis(prop-2-enyl)amino]-4-hydroxypyrano[3,2-c]chromene-2,5-dione (CID 87601155) is 8-[bis(prop-2-enyl)amino]-4-hydroxypyrano[3,2-c]chromene-2,5-dione.
What is the SMILES notation for 8-[bis(prop-2-enyl)amino]-4-hydroxypyrano[3,2-c]chromene-2,5-dione?
The canonical SMILES for 8-[bis(prop-2-enyl)amino]-4-hydroxypyrano[3,2-c]chromene-2,5-dione is C=CCN(CC=C)c1ccc2c(c1)oc(=O)c1c(O)cc(=O)oc12.
What is the InChIKey of 8-[bis(prop-2-enyl)amino]-4-hydroxypyrano[3,2-c]chromene-2,5-dione?
The InChIKey is AIJPTPFAEVHYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-3-7-19(8-4-2)11-5-6-12-14(9-11)23-18(22)16-13(20)10-15(21)24-17(12)16/h3-6,9-10,20H,1-2,7-8H2.
What are the key properties of 8-[bis(prop-2-enyl)amino]-4-hydroxypyrano[3,2-c]chromene-2,5-dione?
8-[bis(prop-2-enyl)amino]-4-hydroxypyrano[3,2-c]chromene-2,5-dione has a molecular weight of 325.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[bis(prop-2-enyl)amino]-4-hydroxypyrano[3,2-c]chromene-2,5-dione is sourced from PubChem (CID 87601155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).