4-hydroxypyrrolidin-2-one;propane

C7H15NO2 — CID 169229949

IUPAC4-hydroxypyrrolidin-2-one;propane
SMILESCCC.O=C1CC(O)CN1
InChIInChI=1S/C4H7NO2.C3H8/c6-3-1-4(7)5-2-3;1-3-2/h3,6H,1-2H2,(H,5,7);3H2,1-2H3
InChIKeyADJFSLDFLLVQLE-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.28
Rot. Bonds

About 4-hydroxypyrrolidin-2-one;propane

4-hydroxypyrrolidin-2-one;propane (PubChem CID 169229949) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-hydroxypyrrolidin-2-one;propane.

Molecular Properties

Compound Name4-hydroxypyrrolidin-2-one;propane
PubChem CID169229949
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-hydroxypyrrolidin-2-one;propane
SMILESCCC.O=C1CC(O)CN1
InChIInChI=1S/C4H7NO2.C3H8/c6-3-1-4(7)5-2-3;1-3-2/h3,6H,1-2H2,(H,5,7);3H2,1-2H3
InChIKeyADJFSLDFLLVQLE-UHFFFAOYSA-N
XLogP0.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxypyrrolidin-2-one;propane?
The IUPAC name of 4-hydroxypyrrolidin-2-one;propane (CID 169229949) is 4-hydroxypyrrolidin-2-one;propane.
What is the SMILES notation for 4-hydroxypyrrolidin-2-one;propane?
The canonical SMILES for 4-hydroxypyrrolidin-2-one;propane is CCC.O=C1CC(O)CN1.
What is the InChIKey of 4-hydroxypyrrolidin-2-one;propane?
The InChIKey is ADJFSLDFLLVQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.C3H8/c6-3-1-4(7)5-2-3;1-3-2/h3,6H,1-2H2,(H,5,7);3H2,1-2H3.
What are the key properties of 4-hydroxypyrrolidin-2-one;propane?
4-hydroxypyrrolidin-2-one;propane has a molecular weight of 145.20 g/mol, XLogP of 0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypyrrolidin-2-one;propane is sourced from PubChem (CID 169229949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).