2,3-dihydropyrrole-1-carboximidamide;hydrochloride

C5H10ClN3 — CID 140900060

IUPAC2,3-dihydropyrrole-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1C=CCC1
InChIInChI=1S/C5H9N3.ClH/c6-5(7)8-3-1-2-4-8;/h1,3H,2,4H2,(H3,6,7);1H
InChIKeyZWKASKZQZQUBOM-UHFFFAOYSA-N
MW147.61 g/mol
LogP0.52
Rot. Bonds

About 2,3-dihydropyrrole-1-carboximidamide;hydrochloride

2,3-dihydropyrrole-1-carboximidamide;hydrochloride (PubChem CID 140900060) has the molecular formula C5H10ClN3 and a molecular weight of 147.61 g/mol. Its IUPAC name is 2,3-dihydropyrrole-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name2,3-dihydropyrrole-1-carboximidamide;hydrochloride
PubChem CID140900060
Molecular FormulaC5H10ClN3
Molecular Weight147.61 g/mol
Exact Mass147.06
IUPAC Name2,3-dihydropyrrole-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1C=CCC1
InChIInChI=1S/C5H9N3.ClH/c6-5(7)8-3-1-2-4-8;/h1,3H,2,4H2,(H3,6,7);1H
InChIKeyZWKASKZQZQUBOM-UHFFFAOYSA-N
XLogP0.52
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.61
LogP ≤ 50.52
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;hydrochloride?
The IUPAC name of 2,3-dihydropyrrole-1-carboximidamide;hydrochloride (CID 140900060) is 2,3-dihydropyrrole-1-carboximidamide;hydrochloride.
What is the SMILES notation for 2,3-dihydropyrrole-1-carboximidamide;hydrochloride?
The canonical SMILES for 2,3-dihydropyrrole-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1C=CCC1.
What is the InChIKey of 2,3-dihydropyrrole-1-carboximidamide;hydrochloride?
The InChIKey is ZWKASKZQZQUBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.ClH/c6-5(7)8-3-1-2-4-8;/h1,3H,2,4H2,(H3,6,7);1H.
What are the key properties of 2,3-dihydropyrrole-1-carboximidamide;hydrochloride?
2,3-dihydropyrrole-1-carboximidamide;hydrochloride has a molecular weight of 147.61 g/mol, XLogP of 0.52, 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;hydrochloride is sourced from PubChem (CID 140900060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).