13H-chromeno[4,3-b][1,5]benzodiazepin-6-one

C16H10N2O2 — CID 899296

IUPAC13H-chromeno[4,3-b][1,5]benzodiazepin-6-one
SMILESO=c1oc2ccccc2c2c1C=Nc1ccccc1N2
InChIInChI=1S/C16H10N2O2/c19-16-11-9-17-12-6-2-3-7-13(12)18-15(11)10-5-1-4-8-14(10)20-16/h1-9,18H
InChIKeyAUIRWLDQANQNHJ-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.60
Rot. Bonds

About 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one

13H-chromeno[4,3-b][1,5]benzodiazepin-6-one (PubChem CID 899296) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one.

Molecular Properties

Compound Name13H-chromeno[4,3-b][1,5]benzodiazepin-6-one
PubChem CID899296
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name13H-chromeno[4,3-b][1,5]benzodiazepin-6-one
SMILESO=c1oc2ccccc2c2c1C=Nc1ccccc1N2
InChIInChI=1S/C16H10N2O2/c19-16-11-9-17-12-6-2-3-7-13(12)18-15(11)10-5-1-4-8-14(10)20-16/h1-9,18H
InChIKeyAUIRWLDQANQNHJ-UHFFFAOYSA-N
XLogP3.60
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one?
The IUPAC name of 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one (CID 899296) is 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one.
What is the SMILES notation for 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one?
The canonical SMILES for 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one is O=c1oc2ccccc2c2c1C=Nc1ccccc1N2.
What is the InChIKey of 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one?
The InChIKey is AUIRWLDQANQNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c19-16-11-9-17-12-6-2-3-7-13(12)18-15(11)10-5-1-4-8-14(10)20-16/h1-9,18H.
What are the key properties of 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one?
13H-chromeno[4,3-b][1,5]benzodiazepin-6-one has a molecular weight of 262.27 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one is sourced from PubChem (CID 899296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).