3,4-dihydro-2H-pyrano[3,2-b]phenoxazin-9-one

C15H11NO3 — CID 22672524

IUPAC3,4-dihydro-2H-pyrano[3,2-b]phenoxazin-9-one
SMILESO=c1ccc2nc3cc4c(cc3oc-2c1)OCCC4
InChIInChI=1S/C15H11NO3/c17-10-3-4-11-14(7-10)19-15-8-13-9(2-1-5-18-13)6-12(15)16-11/h3-4,6-8H,1-2,5H2
InChIKeyWJHOJEGKLKWKQK-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.62
Rot. Bonds

About 3,4-dihydro-2H-pyrano[3,2-b]phenoxazin-9-one

3,4-dihydro-2H-pyrano[3,2-b]phenoxazin-9-one (PubChem CID 22672524) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrano[3,2-b]phenoxazin-9-one.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrano[3,2-b]phenoxazin-9-one
PubChem CID22672524
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name3,4-dihydro-2H-pyrano[3,2-b]phenoxazin-9-one
SMILESO=c1ccc2nc3cc4c(cc3oc-2c1)OCCC4
InChIInChI=1S/C15H11NO3/c17-10-3-4-11-14(7-10)19-15-8-13-9(2-1-5-18-13)6-12(15)16-11/h3-4,6-8H,1-2,5H2
InChIKeyWJHOJEGKLKWKQK-UHFFFAOYSA-N
XLogP2.62
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrano[3,2-b]phenoxazin-9-one?
The IUPAC name of 3,4-dihydro-2H-pyrano[3,2-b]phenoxazin-9-one (CID 22672524) is 3,4-dihydro-2H-pyrano[3,2-b]phenoxazin-9-one.
What is the SMILES notation for 3,4-dihydro-2H-pyrano[3,2-b]phenoxazin-9-one?
The canonical SMILES for 3,4-dihydro-2H-pyrano[3,2-b]phenoxazin-9-one is O=c1ccc2nc3cc4c(cc3oc-2c1)OCCC4.
What is the InChIKey of 3,4-dihydro-2H-pyrano[3,2-b]phenoxazin-9-one?
The InChIKey is WJHOJEGKLKWKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-10-3-4-11-14(7-10)19-15-8-13-9(2-1-5-18-13)6-12(15)16-11/h3-4,6-8H,1-2,5H2.
What are the key properties of 3,4-dihydro-2H-pyrano[3,2-b]phenoxazin-9-one?
3,4-dihydro-2H-pyrano[3,2-b]phenoxazin-9-one has a molecular weight of 253.26 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrano[3,2-b]phenoxazin-9-one is sourced from PubChem (CID 22672524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).