lithium 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carboxylate

C7H7LiN2O2 — CID 138040423

IUPAClithium 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carboxylate
SMILESO=C([O-])c1ncc2n1CCC2.[Li+]
InChIInChI=1S/C7H8N2O2.Li/c10-7(11)6-8-4-5-2-1-3-9(5)6;/h4H,1-3H2,(H,10,11);/q;+1/p-1
InChIKeyKUVXKTDYINLLSA-UHFFFAOYSA-M
MW158.09 g/mol
LogP-3.80
Rot. Bonds1

About lithium 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carboxylate

lithium 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carboxylate (PubChem CID 138040423) has the molecular formula C7H7LiN2O2 and a molecular weight of 158.09 g/mol. Its IUPAC name is lithium 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carboxylate.

Molecular Properties

Compound Namelithium 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carboxylate
PubChem CID138040423
Molecular FormulaC7H7LiN2O2
Molecular Weight158.09 g/mol
Exact Mass158.07
IUPAC Namelithium 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carboxylate
SMILESO=C([O-])c1ncc2n1CCC2.[Li+]
InChIInChI=1S/C7H8N2O2.Li/c10-7(11)6-8-4-5-2-1-3-9(5)6;/h4H,1-3H2,(H,10,11);/q;+1/p-1
InChIKeyKUVXKTDYINLLSA-UHFFFAOYSA-M
XLogP-3.80
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.09
LogP ≤ 5-3.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze lithium 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carboxylate 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 lithium 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carboxylate?
The IUPAC name of lithium 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carboxylate (CID 138040423) is lithium 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carboxylate.
What is the SMILES notation for lithium 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carboxylate?
The canonical SMILES for lithium 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carboxylate is O=C([O-])c1ncc2n1CCC2.[Li+].
What is the InChIKey of lithium 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carboxylate?
The InChIKey is KUVXKTDYINLLSA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8N2O2.Li/c10-7(11)6-8-4-5-2-1-3-9(5)6;/h4H,1-3H2,(H,10,11);/q;+1/p-1.
What are the key properties of lithium 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carboxylate?
lithium 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carboxylate has a molecular weight of 158.09 g/mol, XLogP of -3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carboxylate is sourced from PubChem (CID 138040423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).