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

C7H8N2O — CID 83478932

IUPAC6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carbaldehyde
SMILESO=Cc1ncc2n1CCC2
InChIInChI=1S/C7H8N2O/c10-5-7-8-4-6-2-1-3-9(6)7/h4-5H,1-3H2
InChIKeyDSMWLQNQKYRDQH-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.64
Rot. Bonds1

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

6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carbaldehyde (PubChem CID 83478932) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carbaldehyde.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carbaldehyde
PubChem CID83478932
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carbaldehyde
SMILESO=Cc1ncc2n1CCC2
InChIInChI=1S/C7H8N2O/c10-5-7-8-4-6-2-1-3-9(6)7/h4-5H,1-3H2
InChIKeyDSMWLQNQKYRDQH-UHFFFAOYSA-N
XLogP0.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carbaldehyde?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carbaldehyde (CID 83478932) is 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carbaldehyde.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carbaldehyde?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carbaldehyde is O=Cc1ncc2n1CCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carbaldehyde?
The InChIKey is DSMWLQNQKYRDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c10-5-7-8-4-6-2-1-3-9(6)7/h4-5H,1-3H2.
What are the key properties of 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carbaldehyde?
6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carbaldehyde has a molecular weight of 136.15 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carbaldehyde is sourced from PubChem (CID 83478932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).