8-methoxy-1,4-benzodiazepin-2-one

C10H8N2O2 — CID 151321351

IUPAC8-methoxy-1,4-benzodiazepin-2-one
SMILESCOc1ccc2cncc(=O)nc2c1
InChIInChI=1S/C10H8N2O2/c1-14-8-3-2-7-5-11-6-10(13)12-9(7)4-8/h2-6H,1H3
InChIKeyOGNIMDIVVQVYKQ-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.00
Rot. Bonds1

About 8-methoxy-1,4-benzodiazepin-2-one

8-methoxy-1,4-benzodiazepin-2-one (PubChem CID 151321351) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 8-methoxy-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name8-methoxy-1,4-benzodiazepin-2-one
PubChem CID151321351
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name8-methoxy-1,4-benzodiazepin-2-one
SMILESCOc1ccc2cncc(=O)nc2c1
InChIInChI=1S/C10H8N2O2/c1-14-8-3-2-7-5-11-6-10(13)12-9(7)4-8/h2-6H,1H3
InChIKeyOGNIMDIVVQVYKQ-UHFFFAOYSA-N
XLogP1.00
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,4-benzodiazepin-2-one?
The IUPAC name of 8-methoxy-1,4-benzodiazepin-2-one (CID 151321351) is 8-methoxy-1,4-benzodiazepin-2-one.
What is the SMILES notation for 8-methoxy-1,4-benzodiazepin-2-one?
The canonical SMILES for 8-methoxy-1,4-benzodiazepin-2-one is COc1ccc2cncc(=O)nc2c1.
What is the InChIKey of 8-methoxy-1,4-benzodiazepin-2-one?
The InChIKey is OGNIMDIVVQVYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-14-8-3-2-7-5-11-6-10(13)12-9(7)4-8/h2-6H,1H3.
What are the key properties of 8-methoxy-1,4-benzodiazepin-2-one?
8-methoxy-1,4-benzodiazepin-2-one has a molecular weight of 188.19 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,4-benzodiazepin-2-one is sourced from PubChem (CID 151321351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).