1-ethanimidoyl-3-methylpyrrolidin-3-ol

C7H14N2O — CID 142132236

IUPAC1-ethanimidoyl-3-methylpyrrolidin-3-ol
SMILES[H]/N=C(\C)N1CCC(C)(O)C1
InChIInChI=1S/C7H14N2O/c1-6(8)9-4-3-7(2,10)5-9/h8,10H,3-5H2,1-2H3/b8-6+
InChIKeyROHDTHQZZOZSSF-SOFGYWHQSA-N
MW142.20 g/mol
LogP0.44
Rot. Bonds

About 1-ethanimidoyl-3-methylpyrrolidin-3-ol

1-ethanimidoyl-3-methylpyrrolidin-3-ol (PubChem CID 142132236) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-ethanimidoyl-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-ethanimidoyl-3-methylpyrrolidin-3-ol
PubChem CID142132236
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-ethanimidoyl-3-methylpyrrolidin-3-ol
SMILES[H]/N=C(\C)N1CCC(C)(O)C1
InChIInChI=1S/C7H14N2O/c1-6(8)9-4-3-7(2,10)5-9/h8,10H,3-5H2,1-2H3/b8-6+
InChIKeyROHDTHQZZOZSSF-SOFGYWHQSA-N
XLogP0.44
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethanimidoyl-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-ethanimidoyl-3-methylpyrrolidin-3-ol (CID 142132236) is 1-ethanimidoyl-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-ethanimidoyl-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-ethanimidoyl-3-methylpyrrolidin-3-ol is [H]/N=C(\C)N1CCC(C)(O)C1.
What is the InChIKey of 1-ethanimidoyl-3-methylpyrrolidin-3-ol?
The InChIKey is ROHDTHQZZOZSSF-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(8)9-4-3-7(2,10)5-9/h8,10H,3-5H2,1-2H3/b8-6+.
What are the key properties of 1-ethanimidoyl-3-methylpyrrolidin-3-ol?
1-ethanimidoyl-3-methylpyrrolidin-3-ol has a molecular weight of 142.20 g/mol, XLogP of 0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethanimidoyl-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 142132236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).