5-(2-iminopyrrolidin-1-yl)-6-methylpiperidin-2-one

C10H17N3O — CID 131142280

IUPAC5-(2-iminopyrrolidin-1-yl)-6-methylpiperidin-2-one
SMILES[H]/N=C1\CCCN1C1CCC(=O)NC1C
InChIInChI=1S/C10H17N3O/c1-7-8(4-5-10(14)12-7)13-6-2-3-9(13)11/h7-8,11H,2-6H2,1H3,(H,12,14)/b11-9+
InChIKeyBGLMATRITKBZQE-PKNBQFBNSA-N
MW195.27 g/mol
LogP0.73
Rot. Bonds1

About 5-(2-iminopyrrolidin-1-yl)-6-methylpiperidin-2-one

5-(2-iminopyrrolidin-1-yl)-6-methylpiperidin-2-one (PubChem CID 131142280) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(2-iminopyrrolidin-1-yl)-6-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(2-iminopyrrolidin-1-yl)-6-methylpiperidin-2-one
PubChem CID131142280
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(2-iminopyrrolidin-1-yl)-6-methylpiperidin-2-one
SMILES[H]/N=C1\CCCN1C1CCC(=O)NC1C
InChIInChI=1S/C10H17N3O/c1-7-8(4-5-10(14)12-7)13-6-2-3-9(13)11/h7-8,11H,2-6H2,1H3,(H,12,14)/b11-9+
InChIKeyBGLMATRITKBZQE-PKNBQFBNSA-N
XLogP0.73
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[(2-methyl-4,5-dihydro-1H-imidazol-5-yl)methylimino]pyrrolidin-2-yl]-1-piperidin-1-ylethanone
CID 153085489
3-(2-Iminopyrrolidin-1-yl)piperidin-2-one
CID 62092516
5-(2-Iminopyrrolidin-1-yl)piperidin-2-one
CID 63661241
5-(2-Iminopiperidin-1-yl)piperidin-2-one
CID 63661411
5-[(2-Iminopiperidin-1-yl)methyl]pyrrolidin-2-one
CID 64432024
5-(2-Iminopyrrolidin-1-yl)-1-methylpiperidin-2-one
CID 64655140
5-[(2,3,4,5-Tetrahydropyridin-6-ylamino)methyl]pyrrolidin-2-one
CID 79504177
5-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpiperidin-2-one
CID 79504271
1-methyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)piperidin-2-one
CID 79504364
1-Methyl-5-(2,3,4,5-tetrahydropyridin-6-ylamino)piperidin-2-one
CID 79504365
4-(2-Iminopiperidin-1-yl)pyrrolidin-2-one
CID 106186670
4-(2-Iminopiperidin-1-yl)-1-methylpyrrolidin-2-one
CID 130585494

Frequently Asked Questions

What is the IUPAC name of 5-(2-iminopyrrolidin-1-yl)-6-methylpiperidin-2-one?
The IUPAC name of 5-(2-iminopyrrolidin-1-yl)-6-methylpiperidin-2-one (CID 131142280) is 5-(2-iminopyrrolidin-1-yl)-6-methylpiperidin-2-one.
What is the SMILES notation for 5-(2-iminopyrrolidin-1-yl)-6-methylpiperidin-2-one?
The canonical SMILES for 5-(2-iminopyrrolidin-1-yl)-6-methylpiperidin-2-one is [H]/N=C1\CCCN1C1CCC(=O)NC1C.
What is the InChIKey of 5-(2-iminopyrrolidin-1-yl)-6-methylpiperidin-2-one?
The InChIKey is BGLMATRITKBZQE-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-8(4-5-10(14)12-7)13-6-2-3-9(13)11/h7-8,11H,2-6H2,1H3,(H,12,14)/b11-9+.
What are the key properties of 5-(2-iminopyrrolidin-1-yl)-6-methylpiperidin-2-one?
5-(2-iminopyrrolidin-1-yl)-6-methylpiperidin-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iminopyrrolidin-1-yl)-6-methylpiperidin-2-one is sourced from PubChem (CID 131142280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).