pyrrolidine-1-carboximidamide

C5H11N3 — CID 2794597

IUPACpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1
InChIInChI=1S/C5H11N3/c6-5(7)8-3-1-2-4-8/h1-4H2,(H3,6,7)
InChIKeyPIGIRWPZTWLVLB-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.02
Rot. Bonds

About pyrrolidine-1-carboximidamide

pyrrolidine-1-carboximidamide (PubChem CID 2794597) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Namepyrrolidine-1-carboximidamide
PubChem CID2794597
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Namepyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1
InChIInChI=1S/C5H11N3/c6-5(7)8-3-1-2-4-8/h1-4H2,(H3,6,7)
InChIKeyPIGIRWPZTWLVLB-UHFFFAOYSA-N
XLogP-0.02
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.02
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 pyrrolidine-1-carboximidamide?
The IUPAC name of pyrrolidine-1-carboximidamide (CID 2794597) is pyrrolidine-1-carboximidamide.
What is the SMILES notation for pyrrolidine-1-carboximidamide?
The canonical SMILES for pyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCCC1.
What is the InChIKey of pyrrolidine-1-carboximidamide?
The InChIKey is PIGIRWPZTWLVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c6-5(7)8-3-1-2-4-8/h1-4H2,(H3,6,7).
What are the key properties of pyrrolidine-1-carboximidamide?
pyrrolidine-1-carboximidamide has a molecular weight of 113.16 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-1-carboximidamide is sourced from PubChem (CID 2794597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).