formic acid;propane;1-pyrrolidin-1-ylpropan-1-one

C11H23NO3 — CID 168982322

IUPACformic acid;propane;1-pyrrolidin-1-ylpropan-1-one
SMILESCCC.CCC(=O)N1CCCC1.O=CO
InChIInChI=1S/C7H13NO.C3H8.CH2O2/c1-2-7(9)8-5-3-4-6-8;1-3-2;2-1-3/h2-6H2,1H3;3H2,1-2H3;1H,(H,2,3)
InChIKeyVLPYKNRGJZCIID-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.14
Rot. Bonds1

About formic acid;propane;1-pyrrolidin-1-ylpropan-1-one

formic acid;propane;1-pyrrolidin-1-ylpropan-1-one (PubChem CID 168982322) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is formic acid;propane;1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Nameformic acid;propane;1-pyrrolidin-1-ylpropan-1-one
PubChem CID168982322
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameformic acid;propane;1-pyrrolidin-1-ylpropan-1-one
SMILESCCC.CCC(=O)N1CCCC1.O=CO
InChIInChI=1S/C7H13NO.C3H8.CH2O2/c1-2-7(9)8-5-3-4-6-8;1-3-2;2-1-3/h2-6H2,1H3;3H2,1-2H3;1H,(H,2,3)
InChIKeyVLPYKNRGJZCIID-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;propane;1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of formic acid;propane;1-pyrrolidin-1-ylpropan-1-one (CID 168982322) is formic acid;propane;1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for formic acid;propane;1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for formic acid;propane;1-pyrrolidin-1-ylpropan-1-one is CCC.CCC(=O)N1CCCC1.O=CO.
What is the InChIKey of formic acid;propane;1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is VLPYKNRGJZCIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C3H8.CH2O2/c1-2-7(9)8-5-3-4-6-8;1-3-2;2-1-3/h2-6H2,1H3;3H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;propane;1-pyrrolidin-1-ylpropan-1-one?
formic acid;propane;1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 217.31 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;propane;1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 168982322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).