ethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one

C15H36N2O — CID 161083681

IUPACethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one
SMILESC.CC.CC.CN1CCCC1.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C5H11N.2C2H6.CH4/c1-6-4-2-3-5(6)7;1-6-4-2-3-5-6;2*1-2;/h2-4H2,1H3;2-5H2,1H3;2*1-2H3;1H4
InChIKeyUGFPUPHNCOMUAV-UHFFFAOYSA-N
MW260.47 g/mol
LogP3.64
Rot. Bonds

About ethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one

ethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one (PubChem CID 161083681) has the molecular formula C15H36N2O and a molecular weight of 260.47 g/mol. Its IUPAC name is ethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Nameethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one
PubChem CID161083681
Molecular FormulaC15H36N2O
Molecular Weight260.47 g/mol
Exact Mass260.28
IUPAC Nameethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one
SMILESC.CC.CC.CN1CCCC1.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C5H11N.2C2H6.CH4/c1-6-4-2-3-5(6)7;1-6-4-2-3-5-6;2*1-2;/h2-4H2,1H3;2-5H2,1H3;2*1-2H3;1H4
InChIKeyUGFPUPHNCOMUAV-UHFFFAOYSA-N
XLogP3.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one?
The IUPAC name of ethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one (CID 161083681) is ethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one.
What is the SMILES notation for ethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one?
The canonical SMILES for ethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one is C.CC.CC.CN1CCCC1.CN1CCCC1=O.
What is the InChIKey of ethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one?
The InChIKey is UGFPUPHNCOMUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C5H11N.2C2H6.CH4/c1-6-4-2-3-5(6)7;1-6-4-2-3-5-6;2*1-2;/h2-4H2,1H3;2-5H2,1H3;2*1-2H3;1H4.
What are the key properties of ethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one?
ethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one has a molecular weight of 260.47 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one is sourced from PubChem (CID 161083681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).