2-cyclohexyl-1-(5-oxopyrrolidin-3-yl)guanidine

C11H20N4O — CID 106190225

IUPAC2-cyclohexyl-1-(5-oxopyrrolidin-3-yl)guanidine
SMILESN/C(=N\C1CCCCC1)NC1CNC(=O)C1
InChIInChI=1S/C11H20N4O/c12-11(14-8-4-2-1-3-5-8)15-9-6-10(16)13-7-9/h8-9H,1-7H2,(H,13,16)(H3,12,14,15)
InChIKeyXCAHDFJNBGNDQB-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.11
Rot. Bonds2

About 2-cyclohexyl-1-(5-oxopyrrolidin-3-yl)guanidine

2-cyclohexyl-1-(5-oxopyrrolidin-3-yl)guanidine (PubChem CID 106190225) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-cyclohexyl-1-(5-oxopyrrolidin-3-yl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(5-oxopyrrolidin-3-yl)guanidine
PubChem CID106190225
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-cyclohexyl-1-(5-oxopyrrolidin-3-yl)guanidine
SMILESN/C(=N\C1CCCCC1)NC1CNC(=O)C1
InChIInChI=1S/C11H20N4O/c12-11(14-8-4-2-1-3-5-8)15-9-6-10(16)13-7-9/h8-9H,1-7H2,(H,13,16)(H3,12,14,15)
InChIKeyXCAHDFJNBGNDQB-UHFFFAOYSA-N
XLogP0.11
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.11
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-cyclohexyl-1-(5-oxopyrrolidin-3-yl)guanidine?
The IUPAC name of 2-cyclohexyl-1-(5-oxopyrrolidin-3-yl)guanidine (CID 106190225) is 2-cyclohexyl-1-(5-oxopyrrolidin-3-yl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-(5-oxopyrrolidin-3-yl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-(5-oxopyrrolidin-3-yl)guanidine is N/C(=N\C1CCCCC1)NC1CNC(=O)C1.
What is the InChIKey of 2-cyclohexyl-1-(5-oxopyrrolidin-3-yl)guanidine?
The InChIKey is XCAHDFJNBGNDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c12-11(14-8-4-2-1-3-5-8)15-9-6-10(16)13-7-9/h8-9H,1-7H2,(H,13,16)(H3,12,14,15).
What are the key properties of 2-cyclohexyl-1-(5-oxopyrrolidin-3-yl)guanidine?
2-cyclohexyl-1-(5-oxopyrrolidin-3-yl)guanidine has a molecular weight of 224.31 g/mol, XLogP of 0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(5-oxopyrrolidin-3-yl)guanidine is sourced from PubChem (CID 106190225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).