spiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one

C12H14N2O2 — CID 5151072

IUPACspiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one
SMILESO=C1ONC2(CCCC2)Nc2ccccc21
InChIInChI=1S/C12H14N2O2/c15-11-9-5-1-2-6-10(9)13-12(14-16-11)7-3-4-8-12/h1-2,5-6,13-14H,3-4,7-8H2
InChIKeyLEAZBUWSFFNASW-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.04
Rot. Bonds

About spiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one

spiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one (PubChem CID 5151072) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is spiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one.

Molecular Properties

Compound Namespiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one
PubChem CID5151072
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Namespiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one
SMILESO=C1ONC2(CCCC2)Nc2ccccc21
InChIInChI=1S/C12H14N2O2/c15-11-9-5-1-2-6-10(9)13-12(14-16-11)7-3-4-8-12/h1-2,5-6,13-14H,3-4,7-8H2
InChIKeyLEAZBUWSFFNASW-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one?
The IUPAC name of spiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one (CID 5151072) is spiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one.
What is the SMILES notation for spiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one?
The canonical SMILES for spiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one is O=C1ONC2(CCCC2)Nc2ccccc21.
What is the InChIKey of spiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one?
The InChIKey is LEAZBUWSFFNASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-11-9-5-1-2-6-10(9)13-12(14-16-11)7-3-4-8-12/h1-2,5-6,13-14H,3-4,7-8H2.
What are the key properties of spiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one?
spiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one has a molecular weight of 218.26 g/mol, XLogP of 2.04, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one is sourced from PubChem (CID 5151072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).