1-methylpiperidine;1-methylpyrrolidin-2-one

C11H22N2O — CID 18416662

IUPAC1-methylpiperidine;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.CN1CCCCC1
InChIInChI=1S/C6H13N.C5H9NO/c1-7-5-3-2-4-6-7;1-6-4-2-3-5(6)7/h2-6H2,1H3;2-4H2,1H3
InChIKeyGEBIOHZNDGEIDP-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.34
Rot. Bonds

About 1-methylpiperidine;1-methylpyrrolidin-2-one

1-methylpiperidine;1-methylpyrrolidin-2-one (PubChem CID 18416662) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-methylpiperidine;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-methylpiperidine;1-methylpyrrolidin-2-one
PubChem CID18416662
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-methylpiperidine;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.CN1CCCCC1
InChIInChI=1S/C6H13N.C5H9NO/c1-7-5-3-2-4-6-7;1-6-4-2-3-5(6)7/h2-6H2,1H3;2-4H2,1H3
InChIKeyGEBIOHZNDGEIDP-UHFFFAOYSA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine;1-methylpyrrolidin-2-one?
The IUPAC name of 1-methylpiperidine;1-methylpyrrolidin-2-one (CID 18416662) is 1-methylpiperidine;1-methylpyrrolidin-2-one.
What is the SMILES notation for 1-methylpiperidine;1-methylpyrrolidin-2-one?
The canonical SMILES for 1-methylpiperidine;1-methylpyrrolidin-2-one is CN1CCCC1=O.CN1CCCCC1.
What is the InChIKey of 1-methylpiperidine;1-methylpyrrolidin-2-one?
The InChIKey is GEBIOHZNDGEIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H9NO/c1-7-5-3-2-4-6-7;1-6-4-2-3-5(6)7/h2-6H2,1H3;2-4H2,1H3.
What are the key properties of 1-methylpiperidine;1-methylpyrrolidin-2-one?
1-methylpiperidine;1-methylpyrrolidin-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine;1-methylpyrrolidin-2-one is sourced from PubChem (CID 18416662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).