N'-amino-2,5-dihydropyrrole-1-carboximidamide

C5H10N4 — CID 57358719

IUPACN'-amino-2,5-dihydropyrrole-1-carboximidamide
SMILESNN=C(N)N1CC=CC1
InChIInChI=1S/C5H10N4/c6-5(8-7)9-3-1-2-4-9/h1-2H,3-4,7H2,(H2,6,8)
InChIKeyLBCDTPUGLJBDMI-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.95
Rot. Bonds

About N'-amino-2,5-dihydropyrrole-1-carboximidamide

N'-amino-2,5-dihydropyrrole-1-carboximidamide (PubChem CID 57358719) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is N'-amino-2,5-dihydropyrrole-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-2,5-dihydropyrrole-1-carboximidamide
PubChem CID57358719
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC NameN'-amino-2,5-dihydropyrrole-1-carboximidamide
SMILESNN=C(N)N1CC=CC1
InChIInChI=1S/C5H10N4/c6-5(8-7)9-3-1-2-4-9/h1-2H,3-4,7H2,(H2,6,8)
InChIKeyLBCDTPUGLJBDMI-UHFFFAOYSA-N
XLogP-0.95
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-2,5-dihydropyrrole-1-carboximidamide?
The IUPAC name of N'-amino-2,5-dihydropyrrole-1-carboximidamide (CID 57358719) is N'-amino-2,5-dihydropyrrole-1-carboximidamide.
What is the SMILES notation for N'-amino-2,5-dihydropyrrole-1-carboximidamide?
The canonical SMILES for N'-amino-2,5-dihydropyrrole-1-carboximidamide is NN=C(N)N1CC=CC1.
What is the InChIKey of N'-amino-2,5-dihydropyrrole-1-carboximidamide?
The InChIKey is LBCDTPUGLJBDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c6-5(8-7)9-3-1-2-4-9/h1-2H,3-4,7H2,(H2,6,8).
What are the key properties of N'-amino-2,5-dihydropyrrole-1-carboximidamide?
N'-amino-2,5-dihydropyrrole-1-carboximidamide has a molecular weight of 126.16 g/mol, XLogP of -0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2,5-dihydropyrrole-1-carboximidamide is sourced from PubChem (CID 57358719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).