6-(furan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione

C19H13NO3 — CID 755995

IUPAC6-(furan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione
SMILESO=c1c2ccccc2c2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C19H13NO3/c21-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19(22)20(18)12-13-6-5-11-23-13/h1-11H,12H2
InChIKeyDJAUONLYBMQNIQ-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.16
Rot. Bonds2

About 6-(furan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione

6-(furan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione (PubChem CID 755995) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 6-(furan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione.

Molecular Properties

Compound Name6-(furan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione
PubChem CID755995
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name6-(furan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione
SMILESO=c1c2ccccc2c2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C19H13NO3/c21-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19(22)20(18)12-13-6-5-11-23-13/h1-11H,12H2
InChIKeyDJAUONLYBMQNIQ-UHFFFAOYSA-N
XLogP3.16
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione?
The IUPAC name of 6-(furan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione (CID 755995) is 6-(furan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione.
What is the SMILES notation for 6-(furan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione?
The canonical SMILES for 6-(furan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione is O=c1c2ccccc2c2ccccc2c(=O)n1Cc1ccco1.
What is the InChIKey of 6-(furan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione?
The InChIKey is DJAUONLYBMQNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c21-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19(22)20(18)12-13-6-5-11-23-13/h1-11H,12H2.
What are the key properties of 6-(furan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione?
6-(furan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione has a molecular weight of 303.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione is sourced from PubChem (CID 755995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).