spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol

C12H15NO2 — CID 115099341

IUPACspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol
SMILESOc1ccc2c(c1)NCC1(CCC1)CO2
InChIInChI=1S/C12H15NO2/c14-9-2-3-11-10(6-9)13-7-12(8-15-11)4-1-5-12/h2-3,6,13-14H,1,4-5,7-8H2
InChIKeyRNKSZLOAOUTUTK-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.37
Rot. Bonds

About spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol

spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol (PubChem CID 115099341) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol.

Molecular Properties

Compound Namespiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol
PubChem CID115099341
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namespiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol
SMILESOc1ccc2c(c1)NCC1(CCC1)CO2
InChIInChI=1S/C12H15NO2/c14-9-2-3-11-10(6-9)13-7-12(8-15-11)4-1-5-12/h2-3,6,13-14H,1,4-5,7-8H2
InChIKeyRNKSZLOAOUTUTK-UHFFFAOYSA-N
XLogP2.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol?
The IUPAC name of spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol (CID 115099341) is spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol.
What is the SMILES notation for spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol?
The canonical SMILES for spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol is Oc1ccc2c(c1)NCC1(CCC1)CO2.
What is the InChIKey of spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol?
The InChIKey is RNKSZLOAOUTUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-9-2-3-11-10(6-9)13-7-12(8-15-11)4-1-5-12/h2-3,6,13-14H,1,4-5,7-8H2.
What are the key properties of spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol?
spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol has a molecular weight of 205.26 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol is sourced from PubChem (CID 115099341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).