7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one

C11H10ClNO2 — CID 115099122

IUPAC7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one
SMILESO=C1Nc2cc(Cl)ccc2OCC12CC2
InChIInChI=1S/C11H10ClNO2/c12-7-1-2-9-8(5-7)13-10(14)11(3-4-11)6-15-9/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeySQHMJUUOPDFXHI-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.45
Rot. Bonds

About 7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one

7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one (PubChem CID 115099122) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one.

Molecular Properties

Compound Name7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one
PubChem CID115099122
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one
SMILESO=C1Nc2cc(Cl)ccc2OCC12CC2
InChIInChI=1S/C11H10ClNO2/c12-7-1-2-9-8(5-7)13-10(14)11(3-4-11)6-15-9/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeySQHMJUUOPDFXHI-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one?
The IUPAC name of 7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one (CID 115099122) is 7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one.
What is the SMILES notation for 7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one?
The canonical SMILES for 7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one is O=C1Nc2cc(Cl)ccc2OCC12CC2.
What is the InChIKey of 7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one?
The InChIKey is SQHMJUUOPDFXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c12-7-1-2-9-8(5-7)13-10(14)11(3-4-11)6-15-9/h1-2,5H,3-4,6H2,(H,13,14).
What are the key properties of 7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one?
7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one has a molecular weight of 223.66 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one is sourced from PubChem (CID 115099122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).