4H-pyrrolo[3,2-f]quinoxalin-1-ium

C10H8N3+ — CID 136890035

IUPAC4H-pyrrolo[3,2-f]quinoxalin-1-ium
SMILESc1cc2c(ccc3[nH]cc[nH+]c32)n1
InChIInChI=1S/C10H7N3/c1-2-9-10(13-6-5-12-9)7-3-4-11-8(1)7/h1-6,12H/p+1
InChIKeyRMIFGSLDMMIENP-UHFFFAOYSA-O
MW170.19 g/mol
LogP1.53
Rot. Bonds

About 4H-pyrrolo[3,2-f]quinoxalin-1-ium

4H-pyrrolo[3,2-f]quinoxalin-1-ium (PubChem CID 136890035) has the molecular formula C10H8N3+ and a molecular weight of 170.19 g/mol. Its IUPAC name is 4H-pyrrolo[3,2-f]quinoxalin-1-ium.

Molecular Properties

Compound Name4H-pyrrolo[3,2-f]quinoxalin-1-ium
PubChem CID136890035
Molecular FormulaC10H8N3+
Molecular Weight170.19 g/mol
Exact Mass170.07
IUPAC Name4H-pyrrolo[3,2-f]quinoxalin-1-ium
SMILESc1cc2c(ccc3[nH]cc[nH+]c32)n1
InChIInChI=1S/C10H7N3/c1-2-9-10(13-6-5-12-9)7-3-4-11-8(1)7/h1-6,12H/p+1
InChIKeyRMIFGSLDMMIENP-UHFFFAOYSA-O
XLogP1.53
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4H-pyrrolo[3,2-f]quinoxalin-1-ium?
The IUPAC name of 4H-pyrrolo[3,2-f]quinoxalin-1-ium (CID 136890035) is 4H-pyrrolo[3,2-f]quinoxalin-1-ium.
What is the SMILES notation for 4H-pyrrolo[3,2-f]quinoxalin-1-ium?
The canonical SMILES for 4H-pyrrolo[3,2-f]quinoxalin-1-ium is c1cc2c(ccc3[nH]cc[nH+]c32)n1.
What is the InChIKey of 4H-pyrrolo[3,2-f]quinoxalin-1-ium?
The InChIKey is RMIFGSLDMMIENP-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H7N3/c1-2-9-10(13-6-5-12-9)7-3-4-11-8(1)7/h1-6,12H/p+1.
What are the key properties of 4H-pyrrolo[3,2-f]quinoxalin-1-ium?
4H-pyrrolo[3,2-f]quinoxalin-1-ium has a molecular weight of 170.19 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrrolo[3,2-f]quinoxalin-1-ium is sourced from PubChem (CID 136890035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).