(1-ethanimidoylpyrrolidin-2-yl)methanol

C7H14N2O — CID 54182844

IUPAC(1-ethanimidoylpyrrolidin-2-yl)methanol
SMILES[H]/N=C(\C)N1CCCC1CO
InChIInChI=1S/C7H14N2O/c1-6(8)9-4-2-3-7(9)5-10/h7-8,10H,2-5H2,1H3/b8-6+
InChIKeyJGEBXYKZPRKCRE-SOFGYWHQSA-N
MW142.20 g/mol
LogP0.44
Rot. Bonds1

About (1-ethanimidoylpyrrolidin-2-yl)methanol

(1-ethanimidoylpyrrolidin-2-yl)methanol (PubChem CID 54182844) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (1-ethanimidoylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-ethanimidoylpyrrolidin-2-yl)methanol
PubChem CID54182844
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(1-ethanimidoylpyrrolidin-2-yl)methanol
SMILES[H]/N=C(\C)N1CCCC1CO
InChIInChI=1S/C7H14N2O/c1-6(8)9-4-2-3-7(9)5-10/h7-8,10H,2-5H2,1H3/b8-6+
InChIKeyJGEBXYKZPRKCRE-SOFGYWHQSA-N
XLogP0.44
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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-ethanimidoylpyrrolidin-2-yl)methanol?
The IUPAC name of (1-ethanimidoylpyrrolidin-2-yl)methanol (CID 54182844) is (1-ethanimidoylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-ethanimidoylpyrrolidin-2-yl)methanol?
The canonical SMILES for (1-ethanimidoylpyrrolidin-2-yl)methanol is [H]/N=C(\C)N1CCCC1CO.
What is the InChIKey of (1-ethanimidoylpyrrolidin-2-yl)methanol?
The InChIKey is JGEBXYKZPRKCRE-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(8)9-4-2-3-7(9)5-10/h7-8,10H,2-5H2,1H3/b8-6+.
What are the key properties of (1-ethanimidoylpyrrolidin-2-yl)methanol?
(1-ethanimidoylpyrrolidin-2-yl)methanol has a molecular weight of 142.20 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethanimidoylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 54182844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).