5-ethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one

C11H14N2O — CID 3078200

IUPAC5-ethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
SMILESCCN1C(=O)CCNc2ccccc21
InChIInChI=1S/C11H14N2O/c1-2-13-10-6-4-3-5-9(10)12-8-7-11(13)14/h3-6,12H,2,7-8H2,1H3
InChIKeyHSZLNPJAFSBTOE-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.86
Rot. Bonds1

About 5-ethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one

5-ethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one (PubChem CID 3078200) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-ethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name5-ethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
PubChem CID3078200
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-ethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
SMILESCCN1C(=O)CCNc2ccccc21
InChIInChI=1S/C11H14N2O/c1-2-13-10-6-4-3-5-9(10)12-8-7-11(13)14/h3-6,12H,2,7-8H2,1H3
InChIKeyHSZLNPJAFSBTOE-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The IUPAC name of 5-ethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one (CID 3078200) is 5-ethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one.
What is the SMILES notation for 5-ethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The canonical SMILES for 5-ethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one is CCN1C(=O)CCNc2ccccc21.
What is the InChIKey of 5-ethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The InChIKey is HSZLNPJAFSBTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-13-10-6-4-3-5-9(10)12-8-7-11(13)14/h3-6,12H,2,7-8H2,1H3.
What are the key properties of 5-ethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
5-ethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one has a molecular weight of 190.25 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one is sourced from PubChem (CID 3078200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).