5-(2-iminopyrrolidin-1-yl)-1-methylpiperidin-2-one

C10H17N3O — CID 64655140

IUPAC5-(2-iminopyrrolidin-1-yl)-1-methylpiperidin-2-one
SMILES[H]/N=C1\CCCN1C1CCC(=O)N(C)C1
InChIInChI=1S/C10H17N3O/c1-12-7-8(4-5-10(12)14)13-6-2-3-9(13)11/h8,11H,2-7H2,1H3/b11-9+
InChIKeyQAIMTDAQJYIOOO-PKNBQFBNSA-N
MW195.27 g/mol
LogP0.68
Rot. Bonds1

About 5-(2-iminopyrrolidin-1-yl)-1-methylpiperidin-2-one

5-(2-iminopyrrolidin-1-yl)-1-methylpiperidin-2-one (PubChem CID 64655140) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(2-iminopyrrolidin-1-yl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(2-iminopyrrolidin-1-yl)-1-methylpiperidin-2-one
PubChem CID64655140
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(2-iminopyrrolidin-1-yl)-1-methylpiperidin-2-one
SMILES[H]/N=C1\CCCN1C1CCC(=O)N(C)C1
InChIInChI=1S/C10H17N3O/c1-12-7-8(4-5-10(12)14)13-6-2-3-9(13)11/h8,11H,2-7H2,1H3/b11-9+
InChIKeyQAIMTDAQJYIOOO-PKNBQFBNSA-N
XLogP0.68
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-iminopyrrolidin-1-yl)-1-methylpiperidin-2-one?
The IUPAC name of 5-(2-iminopyrrolidin-1-yl)-1-methylpiperidin-2-one (CID 64655140) is 5-(2-iminopyrrolidin-1-yl)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-(2-iminopyrrolidin-1-yl)-1-methylpiperidin-2-one?
The canonical SMILES for 5-(2-iminopyrrolidin-1-yl)-1-methylpiperidin-2-one is [H]/N=C1\CCCN1C1CCC(=O)N(C)C1.
What is the InChIKey of 5-(2-iminopyrrolidin-1-yl)-1-methylpiperidin-2-one?
The InChIKey is QAIMTDAQJYIOOO-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H17N3O/c1-12-7-8(4-5-10(12)14)13-6-2-3-9(13)11/h8,11H,2-7H2,1H3/b11-9+.
What are the key properties of 5-(2-iminopyrrolidin-1-yl)-1-methylpiperidin-2-one?
5-(2-iminopyrrolidin-1-yl)-1-methylpiperidin-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iminopyrrolidin-1-yl)-1-methylpiperidin-2-one is sourced from PubChem (CID 64655140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).