4-iminopyrrolidin-2-one

C4H6N2O — CID 123158040

IUPAC4-iminopyrrolidin-2-one
SMILES[H]/N=C1/CNC(=O)C1
InChIInChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h5H,1-2H2,(H,6,7)/b5-3+
InChIKeyCRQMVTBVVDQPEX-HWKANZROSA-N
MW98.10 g/mol
LogP-0.47
Rot. Bonds

About 4-iminopyrrolidin-2-one

4-iminopyrrolidin-2-one (PubChem CID 123158040) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 4-iminopyrrolidin-2-one.

Molecular Properties

Compound Name4-iminopyrrolidin-2-one
PubChem CID123158040
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name4-iminopyrrolidin-2-one
SMILES[H]/N=C1/CNC(=O)C1
InChIInChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h5H,1-2H2,(H,6,7)/b5-3+
InChIKeyCRQMVTBVVDQPEX-HWKANZROSA-N
XLogP-0.47
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.47
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 4-iminopyrrolidin-2-one?
The IUPAC name of 4-iminopyrrolidin-2-one (CID 123158040) is 4-iminopyrrolidin-2-one.
What is the SMILES notation for 4-iminopyrrolidin-2-one?
The canonical SMILES for 4-iminopyrrolidin-2-one is [H]/N=C1/CNC(=O)C1.
What is the InChIKey of 4-iminopyrrolidin-2-one?
The InChIKey is CRQMVTBVVDQPEX-HWKANZROSA-N. The full InChI is InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h5H,1-2H2,(H,6,7)/b5-3+.
What are the key properties of 4-iminopyrrolidin-2-one?
4-iminopyrrolidin-2-one has a molecular weight of 98.10 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminopyrrolidin-2-one is sourced from PubChem (CID 123158040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).