methyl formate;2-methylpyrrolidine

C7H15NO2 — CID 143025245

IUPACmethyl formate;2-methylpyrrolidine
SMILESCC1CCCN1.COC=O
InChIInChI=1S/C5H11N.C2H4O2/c1-5-3-2-4-6-5;1-4-2-3/h5-6H,2-4H2,1H3;2H,1H3
InChIKeyPZSJSRVUPINFFU-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.55
Rot. Bonds1

About methyl formate;2-methylpyrrolidine

methyl formate;2-methylpyrrolidine (PubChem CID 143025245) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl formate;2-methylpyrrolidine.

Molecular Properties

Compound Namemethyl formate;2-methylpyrrolidine
PubChem CID143025245
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl formate;2-methylpyrrolidine
SMILESCC1CCCN1.COC=O
InChIInChI=1S/C5H11N.C2H4O2/c1-5-3-2-4-6-5;1-4-2-3/h5-6H,2-4H2,1H3;2H,1H3
InChIKeyPZSJSRVUPINFFU-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.55
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 methyl formate;2-methylpyrrolidine?
The IUPAC name of methyl formate;2-methylpyrrolidine (CID 143025245) is methyl formate;2-methylpyrrolidine.
What is the SMILES notation for methyl formate;2-methylpyrrolidine?
The canonical SMILES for methyl formate;2-methylpyrrolidine is CC1CCCN1.COC=O.
What is the InChIKey of methyl formate;2-methylpyrrolidine?
The InChIKey is PZSJSRVUPINFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C2H4O2/c1-5-3-2-4-6-5;1-4-2-3/h5-6H,2-4H2,1H3;2H,1H3.
What are the key properties of methyl formate;2-methylpyrrolidine?
methyl formate;2-methylpyrrolidine has a molecular weight of 145.20 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl formate;2-methylpyrrolidine is sourced from PubChem (CID 143025245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).