2,3-dihydropyrrole-1-carboximidamide

C5H9N3 — CID 54076033

IUPAC2,3-dihydropyrrole-1-carboximidamide
SMILES[H]/N=C(\N)N1C=CCC1
InChIInChI=1S/C5H9N3/c6-5(7)8-3-1-2-4-8/h1,3H,2,4H2,(H3,6,7)
InChIKeyMJSQLVQCYKAPNT-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.10
Rot. Bonds

About 2,3-dihydropyrrole-1-carboximidamide

2,3-dihydropyrrole-1-carboximidamide (PubChem CID 54076033) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 2,3-dihydropyrrole-1-carboximidamide.

Molecular Properties

Compound Name2,3-dihydropyrrole-1-carboximidamide
PubChem CID54076033
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name2,3-dihydropyrrole-1-carboximidamide
SMILES[H]/N=C(\N)N1C=CCC1
InChIInChI=1S/C5H9N3/c6-5(7)8-3-1-2-4-8/h1,3H,2,4H2,(H3,6,7)
InChIKeyMJSQLVQCYKAPNT-UHFFFAOYSA-N
XLogP0.10
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 2,3-dihydropyrrole-1-carboximidamide?
The IUPAC name of 2,3-dihydropyrrole-1-carboximidamide (CID 54076033) is 2,3-dihydropyrrole-1-carboximidamide.
What is the SMILES notation for 2,3-dihydropyrrole-1-carboximidamide?
The canonical SMILES for 2,3-dihydropyrrole-1-carboximidamide is [H]/N=C(\N)N1C=CCC1.
What is the InChIKey of 2,3-dihydropyrrole-1-carboximidamide?
The InChIKey is MJSQLVQCYKAPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c6-5(7)8-3-1-2-4-8/h1,3H,2,4H2,(H3,6,7).
What are the key properties of 2,3-dihydropyrrole-1-carboximidamide?
2,3-dihydropyrrole-1-carboximidamide has a molecular weight of 111.15 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrrole-1-carboximidamide is sourced from PubChem (CID 54076033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).