2-(2,3-dibromo-9-oxo-1,5,6,7-tetrahydropyrrolo[2,3-f]indolizin-4-yl)guanidine

C11H11Br2N5O — CID 11079644

IUPAC2-(2,3-dibromo-9-oxo-1,5,6,7-tetrahydropyrrolo[2,3-f]indolizin-4-yl)guanidine
SMILESNC(N)=Nc1c2n(c(=O)c3[nH]c(Br)c(Br)c13)CCC2
InChIInChI=1S/C11H11Br2N5O/c12-6-5-7(17-11(14)15)4-2-1-3-18(4)10(19)8(5)16-9(6)13/h16H,1-3H2,(H4,14,15,17)
InChIKeyWNFGJYRDKBZYOI-UHFFFAOYSA-N
MW389.05 g/mol
LogP1.71
Rot. Bonds1

About 2-(2,3-dibromo-9-oxo-1,5,6,7-tetrahydropyrrolo[2,3-f]indolizin-4-yl)guanidine

2-(2,3-dibromo-9-oxo-1,5,6,7-tetrahydropyrrolo[2,3-f]indolizin-4-yl)guanidine (PubChem CID 11079644) has the molecular formula C11H11Br2N5O and a molecular weight of 389.05 g/mol. Its IUPAC name is 2-(2,3-dibromo-9-oxo-1,5,6,7-tetrahydropyrrolo[2,3-f]indolizin-4-yl)guanidine.

Molecular Properties

Compound Name2-(2,3-dibromo-9-oxo-1,5,6,7-tetrahydropyrrolo[2,3-f]indolizin-4-yl)guanidine
PubChem CID11079644
Molecular FormulaC11H11Br2N5O
Molecular Weight389.05 g/mol
Exact Mass386.93
IUPAC Name2-(2,3-dibromo-9-oxo-1,5,6,7-tetrahydropyrrolo[2,3-f]indolizin-4-yl)guanidine
SMILESNC(N)=Nc1c2n(c(=O)c3[nH]c(Br)c(Br)c13)CCC2
InChIInChI=1S/C11H11Br2N5O/c12-6-5-7(17-11(14)15)4-2-1-3-18(4)10(19)8(5)16-9(6)13/h16H,1-3H2,(H4,14,15,17)
InChIKeyWNFGJYRDKBZYOI-UHFFFAOYSA-N
XLogP1.71
TPSA102.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.05
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dibromo-9-oxo-1,5,6,7-tetrahydropyrrolo[2,3-f]indolizin-4-yl)guanidine?
The IUPAC name of 2-(2,3-dibromo-9-oxo-1,5,6,7-tetrahydropyrrolo[2,3-f]indolizin-4-yl)guanidine (CID 11079644) is 2-(2,3-dibromo-9-oxo-1,5,6,7-tetrahydropyrrolo[2,3-f]indolizin-4-yl)guanidine.
What is the SMILES notation for 2-(2,3-dibromo-9-oxo-1,5,6,7-tetrahydropyrrolo[2,3-f]indolizin-4-yl)guanidine?
The canonical SMILES for 2-(2,3-dibromo-9-oxo-1,5,6,7-tetrahydropyrrolo[2,3-f]indolizin-4-yl)guanidine is NC(N)=Nc1c2n(c(=O)c3[nH]c(Br)c(Br)c13)CCC2.
What is the InChIKey of 2-(2,3-dibromo-9-oxo-1,5,6,7-tetrahydropyrrolo[2,3-f]indolizin-4-yl)guanidine?
The InChIKey is WNFGJYRDKBZYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N5O/c12-6-5-7(17-11(14)15)4-2-1-3-18(4)10(19)8(5)16-9(6)13/h16H,1-3H2,(H4,14,15,17).
What are the key properties of 2-(2,3-dibromo-9-oxo-1,5,6,7-tetrahydropyrrolo[2,3-f]indolizin-4-yl)guanidine?
2-(2,3-dibromo-9-oxo-1,5,6,7-tetrahydropyrrolo[2,3-f]indolizin-4-yl)guanidine has a molecular weight of 389.05 g/mol, XLogP of 1.71, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dibromo-9-oxo-1,5,6,7-tetrahydropyrrolo[2,3-f]indolizin-4-yl)guanidine is sourced from PubChem (CID 11079644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).