7-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];hydrochloride

C10H11BrClNO — CID 138040615

IUPAC7-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];hydrochloride
SMILESBrc1ccc2c(c1)OC1(CC1)CN2.Cl
InChIInChI=1S/C10H10BrNO.ClH/c11-7-1-2-8-9(5-7)13-10(3-4-10)6-12-8;/h1-2,5,12H,3-4,6H2;1H
InChIKeyZJCKTSAKMZWTQG-UHFFFAOYSA-N
MW276.56 g/mol
LogP3.21
Rot. Bonds

About 7-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];hydrochloride

7-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];hydrochloride (PubChem CID 138040615) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 7-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];hydrochloride.

Molecular Properties

Compound Name7-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];hydrochloride
PubChem CID138040615
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name7-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];hydrochloride
SMILESBrc1ccc2c(c1)OC1(CC1)CN2.Cl
InChIInChI=1S/C10H10BrNO.ClH/c11-7-1-2-8-9(5-7)13-10(3-4-10)6-12-8;/h1-2,5,12H,3-4,6H2;1H
InChIKeyZJCKTSAKMZWTQG-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];hydrochloride?
The IUPAC name of 7-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];hydrochloride (CID 138040615) is 7-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];hydrochloride.
What is the SMILES notation for 7-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];hydrochloride?
The canonical SMILES for 7-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];hydrochloride is Brc1ccc2c(c1)OC1(CC1)CN2.Cl.
What is the InChIKey of 7-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];hydrochloride?
The InChIKey is ZJCKTSAKMZWTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO.ClH/c11-7-1-2-8-9(5-7)13-10(3-4-10)6-12-8;/h1-2,5,12H,3-4,6H2;1H.
What are the key properties of 7-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];hydrochloride?
7-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];hydrochloride has a molecular weight of 276.56 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];hydrochloride is sourced from PubChem (CID 138040615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).