spiro[1H-pyrimidine-2,2'-indole]

C11H9N3 — CID 164899095

IUPACspiro[1H-pyrimidine-2,2'-indole]
SMILESC1=CNC2(C=c3ccccc3=N2)N=C1
InChIInChI=1S/C11H9N3/c1-2-5-10-9(4-1)8-11(14-10)12-6-3-7-13-11/h1-8,12H
InChIKeyDVXBGVFMKOQTII-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.06
Rot. Bonds

About spiro[1H-pyrimidine-2,2'-indole]

spiro[1H-pyrimidine-2,2'-indole] (PubChem CID 164899095) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is spiro[1H-pyrimidine-2,2'-indole].

Molecular Properties

Compound Namespiro[1H-pyrimidine-2,2'-indole]
PubChem CID164899095
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Namespiro[1H-pyrimidine-2,2'-indole]
SMILESC1=CNC2(C=c3ccccc3=N2)N=C1
InChIInChI=1S/C11H9N3/c1-2-5-10-9(4-1)8-11(14-10)12-6-3-7-13-11/h1-8,12H
InChIKeyDVXBGVFMKOQTII-UHFFFAOYSA-N
XLogP-0.06
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze spiro[1H-pyrimidine-2,2'-indole] 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 spiro[1H-pyrimidine-2,2'-indole]?
The IUPAC name of spiro[1H-pyrimidine-2,2'-indole] (CID 164899095) is spiro[1H-pyrimidine-2,2'-indole].
What is the SMILES notation for spiro[1H-pyrimidine-2,2'-indole]?
The canonical SMILES for spiro[1H-pyrimidine-2,2'-indole] is C1=CNC2(C=c3ccccc3=N2)N=C1.
What is the InChIKey of spiro[1H-pyrimidine-2,2'-indole]?
The InChIKey is DVXBGVFMKOQTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-2-5-10-9(4-1)8-11(14-10)12-6-3-7-13-11/h1-8,12H.
What are the key properties of spiro[1H-pyrimidine-2,2'-indole]?
spiro[1H-pyrimidine-2,2'-indole] has a molecular weight of 183.21 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-pyrimidine-2,2'-indole] is sourced from PubChem (CID 164899095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).