methyl formate;pyrrolidine

C6H13NO2 — CID 142871374

IUPACmethyl formate;pyrrolidine
SMILESC1CCNC1.COC=O
InChIInChI=1S/C4H9N.C2H4O2/c1-2-4-5-3-1;1-4-2-3/h5H,1-4H2;2H,1H3
InChIKeyMZDIJYYAJOYQAP-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.16
Rot. Bonds1

About methyl formate;pyrrolidine

methyl formate;pyrrolidine (PubChem CID 142871374) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is methyl formate;pyrrolidine.

Molecular Properties

Compound Namemethyl formate;pyrrolidine
PubChem CID142871374
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Namemethyl formate;pyrrolidine
SMILESC1CCNC1.COC=O
InChIInChI=1S/C4H9N.C2H4O2/c1-2-4-5-3-1;1-4-2-3/h5H,1-4H2;2H,1H3
InChIKeyMZDIJYYAJOYQAP-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl formate;(2S)-2-methylpiperidine
CID 162751563
methane;methyl formate
CID 162150401
oxophosphanium;pyrrolidine
CID 160540028
hydron;methyl formate
CID 173190969
ethane;pyrrolidine;hydrofluoride
CID 143607064
cyclohexyl formate;piperidine
CID 174620943
methyl acetate;piperidine;hydrochloride
CID 157161388
propan-2-one;pyrrolidine
CID 67819673
azocane;dimethoxysilane
CID 173012119
copper;pyrrolidine
CID 121303629
piperazine;pyrrolidine
CID 22624324
azacycloheptadecane
CID 22627811

Frequently Asked Questions

What is the IUPAC name of methyl formate;pyrrolidine?
The IUPAC name of methyl formate;pyrrolidine (CID 142871374) is methyl formate;pyrrolidine.
What is the SMILES notation for methyl formate;pyrrolidine?
The canonical SMILES for methyl formate;pyrrolidine is C1CCNC1.COC=O.
What is the InChIKey of methyl formate;pyrrolidine?
The InChIKey is MZDIJYYAJOYQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C2H4O2/c1-2-4-5-3-1;1-4-2-3/h5H,1-4H2;2H,1H3.
What are the key properties of methyl formate;pyrrolidine?
methyl formate;pyrrolidine has a molecular weight of 131.18 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl formate;pyrrolidine is sourced from PubChem (CID 142871374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).