ethane;formic acid;(2R)-2-methylpyrrolidine

C8H19NO2 — CID 143517093

IUPACethane;formic acid;(2R)-2-methylpyrrolidine
SMILESCC.C[C@@H]1CCCN1.O=CO
InChIInChI=1S/C5H11N.C2H6.CH2O2/c1-5-3-2-4-6-5;1-2;2-1-3/h5-6H,2-4H2,1H3;1-2H3;1H,(H,2,3)/t5-;;/m1../s1
InChIKeyBIQDUYNYRZEIQN-ZJIMSODOSA-N
MW161.25 g/mol
LogP1.49
Rot. Bonds

About ethane;formic acid;(2R)-2-methylpyrrolidine

ethane;formic acid;(2R)-2-methylpyrrolidine (PubChem CID 143517093) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is ethane;formic acid;(2R)-2-methylpyrrolidine.

Molecular Properties

Compound Nameethane;formic acid;(2R)-2-methylpyrrolidine
PubChem CID143517093
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Nameethane;formic acid;(2R)-2-methylpyrrolidine
SMILESCC.C[C@@H]1CCCN1.O=CO
InChIInChI=1S/C5H11N.C2H6.CH2O2/c1-5-3-2-4-6-5;1-2;2-1-3/h5-6H,2-4H2,1H3;1-2H3;1H,(H,2,3)/t5-;;/m1../s1
InChIKeyBIQDUYNYRZEIQN-ZJIMSODOSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
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;(2R)-2-methylpyrrolidine?
The IUPAC name of ethane;formic acid;(2R)-2-methylpyrrolidine (CID 143517093) is ethane;formic acid;(2R)-2-methylpyrrolidine.
What is the SMILES notation for ethane;formic acid;(2R)-2-methylpyrrolidine?
The canonical SMILES for ethane;formic acid;(2R)-2-methylpyrrolidine is CC.C[C@@H]1CCCN1.O=CO.
What is the InChIKey of ethane;formic acid;(2R)-2-methylpyrrolidine?
The InChIKey is BIQDUYNYRZEIQN-ZJIMSODOSA-N. The full InChI is InChI=1S/C5H11N.C2H6.CH2O2/c1-5-3-2-4-6-5;1-2;2-1-3/h5-6H,2-4H2,1H3;1-2H3;1H,(H,2,3)/t5-;;/m1../s1.
What are the key properties of ethane;formic acid;(2R)-2-methylpyrrolidine?
ethane;formic acid;(2R)-2-methylpyrrolidine has a molecular weight of 161.25 g/mol, XLogP of 1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formic acid;(2R)-2-methylpyrrolidine is sourced from PubChem (CID 143517093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).