2-[(3R)-2-oxopyrrolidin-3-yl]guanidine

C5H10N4O — CID 152552573

IUPAC2-[(3R)-2-oxopyrrolidin-3-yl]guanidine
SMILESNC(N)=N[C@@H]1CCNC1=O
InChIInChI=1S/C5H10N4O/c6-5(7)9-3-1-2-8-4(3)10/h3H,1-2H2,(H,8,10)(H4,6,7,9)/t3-/m1/s1
InChIKeyYNUHPOYQDOTQIU-GSVOUGTGSA-N
MW142.16 g/mol
LogP-1.85
Rot. Bonds1

About 2-[(3R)-2-oxopyrrolidin-3-yl]guanidine

2-[(3R)-2-oxopyrrolidin-3-yl]guanidine (PubChem CID 152552573) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-[(3R)-2-oxopyrrolidin-3-yl]guanidine.

Molecular Properties

Compound Name2-[(3R)-2-oxopyrrolidin-3-yl]guanidine
PubChem CID152552573
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name2-[(3R)-2-oxopyrrolidin-3-yl]guanidine
SMILESNC(N)=N[C@@H]1CCNC1=O
InChIInChI=1S/C5H10N4O/c6-5(7)9-3-1-2-8-4(3)10/h3H,1-2H2,(H,8,10)(H4,6,7,9)/t3-/m1/s1
InChIKeyYNUHPOYQDOTQIU-GSVOUGTGSA-N
XLogP-1.85
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-[(3R)-2-oxopyrrolidin-3-yl]guanidine?
The IUPAC name of 2-[(3R)-2-oxopyrrolidin-3-yl]guanidine (CID 152552573) is 2-[(3R)-2-oxopyrrolidin-3-yl]guanidine.
What is the SMILES notation for 2-[(3R)-2-oxopyrrolidin-3-yl]guanidine?
The canonical SMILES for 2-[(3R)-2-oxopyrrolidin-3-yl]guanidine is NC(N)=N[C@@H]1CCNC1=O.
What is the InChIKey of 2-[(3R)-2-oxopyrrolidin-3-yl]guanidine?
The InChIKey is YNUHPOYQDOTQIU-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H10N4O/c6-5(7)9-3-1-2-8-4(3)10/h3H,1-2H2,(H,8,10)(H4,6,7,9)/t3-/m1/s1.
What are the key properties of 2-[(3R)-2-oxopyrrolidin-3-yl]guanidine?
2-[(3R)-2-oxopyrrolidin-3-yl]guanidine has a molecular weight of 142.16 g/mol, XLogP of -1.85, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2-oxopyrrolidin-3-yl]guanidine is sourced from PubChem (CID 152552573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).