ethane;1-ethyl-3-methoxypyrrolidine;formic acid

C10H23NO3 — CID 162750687

IUPACethane;1-ethyl-3-methoxypyrrolidine;formic acid
SMILESCC.CCN1CCC(OC)C1.O=CO
InChIInChI=1S/C7H15NO.C2H6.CH2O2/c1-3-8-5-4-7(6-8)9-2;1-2;2-1-3/h7H,3-6H2,1-2H3;1-2H3;1H,(H,2,3)
InChIKeyKCQZDSFYHVHSSC-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.45
Rot. Bonds2

About ethane;1-ethyl-3-methoxypyrrolidine;formic acid

ethane;1-ethyl-3-methoxypyrrolidine;formic acid (PubChem CID 162750687) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is ethane;1-ethyl-3-methoxypyrrolidine;formic acid.

Molecular Properties

Compound Nameethane;1-ethyl-3-methoxypyrrolidine;formic acid
PubChem CID162750687
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Nameethane;1-ethyl-3-methoxypyrrolidine;formic acid
SMILESCC.CCN1CCC(OC)C1.O=CO
InChIInChI=1S/C7H15NO.C2H6.CH2O2/c1-3-8-5-4-7(6-8)9-2;1-2;2-1-3/h7H,3-6H2,1-2H3;1-2H3;1H,(H,2,3)
InChIKeyKCQZDSFYHVHSSC-UHFFFAOYSA-N
XLogP1.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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;1-ethyl-3-methoxypyrrolidine;formic acid?
The IUPAC name of ethane;1-ethyl-3-methoxypyrrolidine;formic acid (CID 162750687) is ethane;1-ethyl-3-methoxypyrrolidine;formic acid.
What is the SMILES notation for ethane;1-ethyl-3-methoxypyrrolidine;formic acid?
The canonical SMILES for ethane;1-ethyl-3-methoxypyrrolidine;formic acid is CC.CCN1CCC(OC)C1.O=CO.
What is the InChIKey of ethane;1-ethyl-3-methoxypyrrolidine;formic acid?
The InChIKey is KCQZDSFYHVHSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H6.CH2O2/c1-3-8-5-4-7(6-8)9-2;1-2;2-1-3/h7H,3-6H2,1-2H3;1-2H3;1H,(H,2,3).
What are the key properties of ethane;1-ethyl-3-methoxypyrrolidine;formic acid?
ethane;1-ethyl-3-methoxypyrrolidine;formic acid has a molecular weight of 205.30 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-methoxypyrrolidine;formic acid is sourced from PubChem (CID 162750687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).