7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one

C10H8ClNO2 — CID 115097111

IUPAC7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
SMILESO=C1Nc2ccc(Cl)cc2OC12CC2
InChIInChI=1S/C10H8ClNO2/c11-6-1-2-7-8(5-6)14-10(3-4-10)9(13)12-7/h1-2,5H,3-4H2,(H,12,13)
InChIKeyFGYXZNZAIGUGJQ-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.20
Rot. Bonds

About 7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one

7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one (PubChem CID 115097111) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
PubChem CID115097111
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
SMILESO=C1Nc2ccc(Cl)cc2OC12CC2
InChIInChI=1S/C10H8ClNO2/c11-6-1-2-7-8(5-6)14-10(3-4-10)9(13)12-7/h1-2,5H,3-4H2,(H,12,13)
InChIKeyFGYXZNZAIGUGJQ-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one?
The IUPAC name of 7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one (CID 115097111) is 7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one.
What is the SMILES notation for 7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one?
The canonical SMILES for 7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one is O=C1Nc2ccc(Cl)cc2OC12CC2.
What is the InChIKey of 7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one?
The InChIKey is FGYXZNZAIGUGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c11-6-1-2-7-8(5-6)14-10(3-4-10)9(13)12-7/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of 7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one?
7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one has a molecular weight of 209.63 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one is sourced from PubChem (CID 115097111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).