spiro[3,6-dihydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one;hydrochloride

C10H11ClN2O2 — CID 175959218

IUPACspiro[3,6-dihydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one;hydrochloride
SMILESCl.O=c1ccc2c([nH]1)C=NCC1(CC1)O2
InChIInChI=1S/C10H10N2O2.ClH/c13-9-2-1-8-7(12-9)5-11-6-10(14-8)3-4-10;/h1-2,5H,3-4,6H2,(H,12,13);1H
InChIKeyVAPDUSBWWOEMDW-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.14
Rot. Bonds

About spiro[3,6-dihydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one;hydrochloride

spiro[3,6-dihydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one;hydrochloride (PubChem CID 175959218) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is spiro[3,6-dihydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one;hydrochloride.

Molecular Properties

Compound Namespiro[3,6-dihydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one;hydrochloride
PubChem CID175959218
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Namespiro[3,6-dihydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one;hydrochloride
SMILESCl.O=c1ccc2c([nH]1)C=NCC1(CC1)O2
InChIInChI=1S/C10H10N2O2.ClH/c13-9-2-1-8-7(12-9)5-11-6-10(14-8)3-4-10;/h1-2,5H,3-4,6H2,(H,12,13);1H
InChIKeyVAPDUSBWWOEMDW-UHFFFAOYSA-N
XLogP1.14
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[3,6-dihydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one;hydrochloride?
The IUPAC name of spiro[3,6-dihydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one;hydrochloride (CID 175959218) is spiro[3,6-dihydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one;hydrochloride.
What is the SMILES notation for spiro[3,6-dihydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one;hydrochloride?
The canonical SMILES for spiro[3,6-dihydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one;hydrochloride is Cl.O=c1ccc2c([nH]1)C=NCC1(CC1)O2.
What is the InChIKey of spiro[3,6-dihydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one;hydrochloride?
The InChIKey is VAPDUSBWWOEMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.ClH/c13-9-2-1-8-7(12-9)5-11-6-10(14-8)3-4-10;/h1-2,5H,3-4,6H2,(H,12,13);1H.
What are the key properties of spiro[3,6-dihydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one;hydrochloride?
spiro[3,6-dihydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one;hydrochloride has a molecular weight of 226.66 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,6-dihydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one;hydrochloride is sourced from PubChem (CID 175959218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).