methanidyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium

C8H16N2O — CID 20723504

IUPACmethanidyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium
SMILES[CH2-][NH2+]CCCN1CCCC1=O
InChIInChI=1S/C8H16N2O/c1-9-5-3-7-10-6-2-4-8(10)11/h1-7,9H2
InChIKeyXSIRKQPUEJYKQH-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.65
Rot. Bonds4

About methanidyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium

methanidyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium (PubChem CID 20723504) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is methanidyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium.

Molecular Properties

Compound Namemethanidyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium
PubChem CID20723504
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Namemethanidyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium
SMILES[CH2-][NH2+]CCCN1CCCC1=O
InChIInChI=1S/C8H16N2O/c1-9-5-3-7-10-6-2-4-8(10)11/h1-7,9H2
InChIKeyXSIRKQPUEJYKQH-UHFFFAOYSA-N
XLogP-0.65
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanidyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium?
The IUPAC name of methanidyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium (CID 20723504) is methanidyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium.
What is the SMILES notation for methanidyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium?
The canonical SMILES for methanidyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium is [CH2-][NH2+]CCCN1CCCC1=O.
What is the InChIKey of methanidyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium?
The InChIKey is XSIRKQPUEJYKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-9-5-3-7-10-6-2-4-8(10)11/h1-7,9H2.
What are the key properties of methanidyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium?
methanidyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium has a molecular weight of 156.23 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium is sourced from PubChem (CID 20723504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).