3-(2-iminopyrrolidin-1-yl)piperidin-2-one

C9H15N3O — CID 62092516

IUPAC3-(2-iminopyrrolidin-1-yl)piperidin-2-one
SMILES[H]/N=C1\CCCN1C1CCCNC1=O
InChIInChI=1S/C9H15N3O/c10-8-4-2-6-12(8)7-3-1-5-11-9(7)13/h7,10H,1-6H2,(H,11,13)/b10-8+
InChIKeyURCSBRJZEGNNLY-CSKARUKUSA-N
MW181.24 g/mol
LogP0.34
Rot. Bonds1

About 3-(2-iminopyrrolidin-1-yl)piperidin-2-one

3-(2-iminopyrrolidin-1-yl)piperidin-2-one (PubChem CID 62092516) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(2-iminopyrrolidin-1-yl)piperidin-2-one.

Molecular Properties

Compound Name3-(2-iminopyrrolidin-1-yl)piperidin-2-one
PubChem CID62092516
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(2-iminopyrrolidin-1-yl)piperidin-2-one
SMILES[H]/N=C1\CCCN1C1CCCNC1=O
InChIInChI=1S/C9H15N3O/c10-8-4-2-6-12(8)7-3-1-5-11-9(7)13/h7,10H,1-6H2,(H,11,13)/b10-8+
InChIKeyURCSBRJZEGNNLY-CSKARUKUSA-N
XLogP0.34
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.34
H-Bond Donors ≤ 52
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 3-(2-iminopyrrolidin-1-yl)piperidin-2-one?
The IUPAC name of 3-(2-iminopyrrolidin-1-yl)piperidin-2-one (CID 62092516) is 3-(2-iminopyrrolidin-1-yl)piperidin-2-one.
What is the SMILES notation for 3-(2-iminopyrrolidin-1-yl)piperidin-2-one?
The canonical SMILES for 3-(2-iminopyrrolidin-1-yl)piperidin-2-one is [H]/N=C1\CCCN1C1CCCNC1=O.
What is the InChIKey of 3-(2-iminopyrrolidin-1-yl)piperidin-2-one?
The InChIKey is URCSBRJZEGNNLY-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15N3O/c10-8-4-2-6-12(8)7-3-1-5-11-9(7)13/h7,10H,1-6H2,(H,11,13)/b10-8+.
What are the key properties of 3-(2-iminopyrrolidin-1-yl)piperidin-2-one?
3-(2-iminopyrrolidin-1-yl)piperidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iminopyrrolidin-1-yl)piperidin-2-one is sourced from PubChem (CID 62092516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).