methyl propanoate;1-methylpyrrolidin-2-one

C9H17NO3 — CID 70398186

IUPACmethyl propanoate;1-methylpyrrolidin-2-one
SMILESCCC(=O)OC.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C4H8O2/c1-6-4-2-3-5(6)7;1-3-4(5)6-2/h2-4H2,1H3;3H2,1-2H3
InChIKeyFFSZIYSGWKVLFE-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.81
Rot. Bonds1

About methyl propanoate;1-methylpyrrolidin-2-one

methyl propanoate;1-methylpyrrolidin-2-one (PubChem CID 70398186) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl propanoate;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Namemethyl propanoate;1-methylpyrrolidin-2-one
PubChem CID70398186
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl propanoate;1-methylpyrrolidin-2-one
SMILESCCC(=O)OC.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C4H8O2/c1-6-4-2-3-5(6)7;1-3-4(5)6-2/h2-4H2,1H3;3H2,1-2H3
InChIKeyFFSZIYSGWKVLFE-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl propanoate;1-methylpyrrolidin-2-one?
The IUPAC name of methyl propanoate;1-methylpyrrolidin-2-one (CID 70398186) is methyl propanoate;1-methylpyrrolidin-2-one.
What is the SMILES notation for methyl propanoate;1-methylpyrrolidin-2-one?
The canonical SMILES for methyl propanoate;1-methylpyrrolidin-2-one is CCC(=O)OC.CN1CCCC1=O.
What is the InChIKey of methyl propanoate;1-methylpyrrolidin-2-one?
The InChIKey is FFSZIYSGWKVLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C4H8O2/c1-6-4-2-3-5(6)7;1-3-4(5)6-2/h2-4H2,1H3;3H2,1-2H3.
What are the key properties of methyl propanoate;1-methylpyrrolidin-2-one?
methyl propanoate;1-methylpyrrolidin-2-one has a molecular weight of 187.24 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl propanoate;1-methylpyrrolidin-2-one is sourced from PubChem (CID 70398186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).