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

C10H21NO3 — CID 169177314

IUPACethane;formic acid;1-pyrrolidin-1-ylpropan-1-one
SMILESCC.CCC(=O)N1CCCC1.O=CO
InChIInChI=1S/C7H13NO.C2H6.CH2O2/c1-2-7(9)8-5-3-4-6-8;1-2;2-1-3/h2-6H2,1H3;1-2H3;1H,(H,2,3)
InChIKeyYRTCUPPMMWIYLN-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.75
Rot. Bonds1

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

ethane;formic acid;1-pyrrolidin-1-ylpropan-1-one (PubChem CID 169177314) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is ethane;formic acid;1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Nameethane;formic acid;1-pyrrolidin-1-ylpropan-1-one
PubChem CID169177314
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nameethane;formic acid;1-pyrrolidin-1-ylpropan-1-one
SMILESCC.CCC(=O)N1CCCC1.O=CO
InChIInChI=1S/C7H13NO.C2H6.CH2O2/c1-2-7(9)8-5-3-4-6-8;1-2;2-1-3/h2-6H2,1H3;1-2H3;1H,(H,2,3)
InChIKeyYRTCUPPMMWIYLN-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.75
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 ethane;formic acid;1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of ethane;formic acid;1-pyrrolidin-1-ylpropan-1-one (CID 169177314) is ethane;formic acid;1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for ethane;formic acid;1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for ethane;formic acid;1-pyrrolidin-1-ylpropan-1-one is CC.CCC(=O)N1CCCC1.O=CO.
What is the InChIKey of ethane;formic acid;1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is YRTCUPPMMWIYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H6.CH2O2/c1-2-7(9)8-5-3-4-6-8;1-2;2-1-3/h2-6H2,1H3;1-2H3;1H,(H,2,3).
What are the key properties of ethane;formic acid;1-pyrrolidin-1-ylpropan-1-one?
ethane;formic acid;1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 203.28 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formic acid;1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 169177314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).