1-phenyl-1,4-diazepan-2-one

C11H14N2O — CID 69457460

IUPAC1-phenyl-1,4-diazepan-2-one
SMILESO=C1CNCCCN1c1ccccc1
InChIInChI=1S/C11H14N2O/c14-11-9-12-7-4-8-13(11)10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2
InChIKeyJSRBSUAYAONANZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.01
Rot. Bonds1

About 1-phenyl-1,4-diazepan-2-one

1-phenyl-1,4-diazepan-2-one (PubChem CID 69457460) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-phenyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-phenyl-1,4-diazepan-2-one
PubChem CID69457460
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-phenyl-1,4-diazepan-2-one
SMILESO=C1CNCCCN1c1ccccc1
InChIInChI=1S/C11H14N2O/c14-11-9-12-7-4-8-13(11)10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2
InChIKeyJSRBSUAYAONANZ-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1,4-diazepan-2-one?
The IUPAC name of 1-phenyl-1,4-diazepan-2-one (CID 69457460) is 1-phenyl-1,4-diazepan-2-one.
What is the SMILES notation for 1-phenyl-1,4-diazepan-2-one?
The canonical SMILES for 1-phenyl-1,4-diazepan-2-one is O=C1CNCCCN1c1ccccc1.
What is the InChIKey of 1-phenyl-1,4-diazepan-2-one?
The InChIKey is JSRBSUAYAONANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-11-9-12-7-4-8-13(11)10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2.
What are the key properties of 1-phenyl-1,4-diazepan-2-one?
1-phenyl-1,4-diazepan-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1,4-diazepan-2-one is sourced from PubChem (CID 69457460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).