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

C10H8ClNO2 — CID 115097029

IUPAC6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
SMILESO=C1Nc2cc(Cl)ccc2OC12CC2
InChIInChI=1S/C10H8ClNO2/c11-6-1-2-8-7(5-6)12-9(13)10(14-8)3-4-10/h1-2,5H,3-4H2,(H,12,13)
InChIKeyXSAWZSLELCZBJV-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.20
Rot. Bonds

About 6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one

6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one (PubChem CID 115097029) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
PubChem CID115097029
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
SMILESO=C1Nc2cc(Cl)ccc2OC12CC2
InChIInChI=1S/C10H8ClNO2/c11-6-1-2-8-7(5-6)12-9(13)10(14-8)3-4-10/h1-2,5H,3-4H2,(H,12,13)
InChIKeyXSAWZSLELCZBJV-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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Related Compounds

7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
CID 115097111
7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one
CID 115099122
7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
CID 104523490
6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-7-carbonitrile
CID 118193976
6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 56730123
6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]
CID 115097033
6-methylspiro[4H-1,4-benzoxazine-2,3'-oxolane]-3-one
CID 170070192
6-chloro-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 75796642
6-chloro-N-(2-hydroxyethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 56730099
6-chloro-N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796620
6-chloro-2-(2-methylprop-2-enyl)-2-phenyl-4H-1,4-benzoxazin-3-one
CID 177408827
6-chloro-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796578

Frequently Asked Questions

What is the IUPAC name of 6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one?
The IUPAC name of 6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one (CID 115097029) is 6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one.
What is the SMILES notation for 6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one?
The canonical SMILES for 6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one is O=C1Nc2cc(Cl)ccc2OC12CC2.
What is the InChIKey of 6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one?
The InChIKey is XSAWZSLELCZBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c11-6-1-2-8-7(5-6)12-9(13)10(14-8)3-4-10/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of 6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one?
6-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 6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one is sourced from PubChem (CID 115097029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).