(4R)-4-ethanimidoylpyrrolidin-2-one

C6H10N2O — CID 139397708

IUPAC(4R)-4-ethanimidoylpyrrolidin-2-one
SMILES[H]/N=C(\C)[C@H]1CNC(=O)C1
InChIInChI=1S/C6H10N2O/c1-4(7)5-2-6(9)8-3-5/h5,7H,2-3H2,1H3,(H,8,9)/b7-4+/t5-/m1/s1
InChIKeyIINHMFGZCBMNJJ-XHGAIERPSA-N
MW126.16 g/mol
LogP0.16
Rot. Bonds1

About (4R)-4-ethanimidoylpyrrolidin-2-one

(4R)-4-ethanimidoylpyrrolidin-2-one (PubChem CID 139397708) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (4R)-4-ethanimidoylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-ethanimidoylpyrrolidin-2-one
PubChem CID139397708
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(4R)-4-ethanimidoylpyrrolidin-2-one
SMILES[H]/N=C(\C)[C@H]1CNC(=O)C1
InChIInChI=1S/C6H10N2O/c1-4(7)5-2-6(9)8-3-5/h5,7H,2-3H2,1H3,(H,8,9)/b7-4+/t5-/m1/s1
InChIKeyIINHMFGZCBMNJJ-XHGAIERPSA-N
XLogP0.16
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.16
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 (4R)-4-ethanimidoylpyrrolidin-2-one?
The IUPAC name of (4R)-4-ethanimidoylpyrrolidin-2-one (CID 139397708) is (4R)-4-ethanimidoylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-ethanimidoylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-ethanimidoylpyrrolidin-2-one is [H]/N=C(\C)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-ethanimidoylpyrrolidin-2-one?
The InChIKey is IINHMFGZCBMNJJ-XHGAIERPSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4(7)5-2-6(9)8-3-5/h5,7H,2-3H2,1H3,(H,8,9)/b7-4+/t5-/m1/s1.
What are the key properties of (4R)-4-ethanimidoylpyrrolidin-2-one?
(4R)-4-ethanimidoylpyrrolidin-2-one has a molecular weight of 126.16 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethanimidoylpyrrolidin-2-one is sourced from PubChem (CID 139397708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).