5'-bromo-1'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile

C12H9BrN2O — CID 153409382

IUPAC5'-bromo-1'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile
SMILESCN1C(=O)C2(CC2C#N)c2cc(Br)ccc21
InChIInChI=1S/C12H9BrN2O/c1-15-10-3-2-8(13)4-9(10)12(11(15)16)5-7(12)6-14/h2-4,7H,5H2,1H3
InChIKeyFNBXAMDRAHDBAF-UHFFFAOYSA-N
MW277.12 g/mol
LogP2.21
Rot. Bonds

About 5'-bromo-1'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile

5'-bromo-1'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile (PubChem CID 153409382) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is 5'-bromo-1'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile.

Molecular Properties

Compound Name5'-bromo-1'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile
PubChem CID153409382
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC Name5'-bromo-1'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile
SMILESCN1C(=O)C2(CC2C#N)c2cc(Br)ccc21
InChIInChI=1S/C12H9BrN2O/c1-15-10-3-2-8(13)4-9(10)12(11(15)16)5-7(12)6-14/h2-4,7H,5H2,1H3
InChIKeyFNBXAMDRAHDBAF-UHFFFAOYSA-N
XLogP2.21
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5'-bromo-1'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile?
The IUPAC name of 5'-bromo-1'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile (CID 153409382) is 5'-bromo-1'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile.
What is the SMILES notation for 5'-bromo-1'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile?
The canonical SMILES for 5'-bromo-1'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile is CN1C(=O)C2(CC2C#N)c2cc(Br)ccc21.
What is the InChIKey of 5'-bromo-1'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile?
The InChIKey is FNBXAMDRAHDBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O/c1-15-10-3-2-8(13)4-9(10)12(11(15)16)5-7(12)6-14/h2-4,7H,5H2,1H3.
What are the key properties of 5'-bromo-1'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile?
5'-bromo-1'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile has a molecular weight of 277.12 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-bromo-1'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile is sourced from PubChem (CID 153409382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).