6'-Bromodispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine

C13H13BrN2O2 — CID 86724231

IUPAC—
SMILESNC1=NC2(CO1)c1cc(Br)ccc1OCC21CC1
InChIInChI=1S/C13H13BrN2O2/c14-8-1-2-10-9(5-8)13(7-18-11(15)16-13)12(3-4-12)6-17-10/h1-2,5H,3-4,6-7H2,(H2,15,16)
InChIKeyPRFPBWPICIUVRO-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.16
Rot. Bonds

About 6'-Bromodispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine

6'-Bromodispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine (PubChem CID 86724231) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol.

Molecular Properties

Compound Name6'-Bromodispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine
PubChem CID86724231
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name—
SMILESNC1=NC2(CO1)c1cc(Br)ccc1OCC21CC1
InChIInChI=1S/C13H13BrN2O2/c14-8-1-2-10-9(5-8)13(7-18-11(15)16-13)12(3-4-12)6-17-10/h1-2,5H,3-4,6-7H2,(H2,15,16)
InChIKeyPRFPBWPICIUVRO-UHFFFAOYSA-N
XLogP2.16
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6'-Bromodispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine?
The IUPAC name of 6'-Bromodispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine (CID 86724231) is not available.
What is the SMILES notation for 6'-Bromodispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine?
The canonical SMILES for 6'-Bromodispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine is NC1=NC2(CO1)c1cc(Br)ccc1OCC21CC1.
What is the InChIKey of 6'-Bromodispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine?
The InChIKey is PRFPBWPICIUVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-8-1-2-10-9(5-8)13(7-18-11(15)16-13)12(3-4-12)6-17-10/h1-2,5H,3-4,6-7H2,(H2,15,16).
What are the key properties of 6'-Bromodispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine?
6'-Bromodispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine has a molecular weight of 309.16 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-Bromodispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine is sourced from PubChem (CID 86724231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).