4-methylidene-1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]piperidin-2-one

C13H22N2O — CID 143778320

IUPAC4-methylidene-1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]piperidin-2-one
SMILESC=C1CCN(CCN2CCC[C@H]2C)C(=O)C1
InChIInChI=1S/C13H22N2O/c1-11-5-7-15(13(16)10-11)9-8-14-6-3-4-12(14)2/h12H,1,3-10H2,2H3/t12-/m1/s1
InChIKeyFIOIYCNNESLOPY-GFCCVEGCSA-N
MW222.33 g/mol
LogP1.65
Rot. Bonds3

About 4-methylidene-1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]piperidin-2-one

4-methylidene-1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]piperidin-2-one (PubChem CID 143778320) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-methylidene-1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]piperidin-2-one.

Molecular Properties

Compound Name4-methylidene-1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]piperidin-2-one
PubChem CID143778320
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-methylidene-1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]piperidin-2-one
SMILESC=C1CCN(CCN2CCC[C@H]2C)C(=O)C1
InChIInChI=1S/C13H22N2O/c1-11-5-7-15(13(16)10-11)9-8-14-6-3-4-12(14)2/h12H,1,3-10H2,2H3/t12-/m1/s1
InChIKeyFIOIYCNNESLOPY-GFCCVEGCSA-N
XLogP1.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]piperidin-2-one?
The IUPAC name of 4-methylidene-1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]piperidin-2-one (CID 143778320) is 4-methylidene-1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]piperidin-2-one.
What is the SMILES notation for 4-methylidene-1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]piperidin-2-one?
The canonical SMILES for 4-methylidene-1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]piperidin-2-one is C=C1CCN(CCN2CCC[C@H]2C)C(=O)C1.
What is the InChIKey of 4-methylidene-1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]piperidin-2-one?
The InChIKey is FIOIYCNNESLOPY-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-5-7-15(13(16)10-11)9-8-14-6-3-4-12(14)2/h12H,1,3-10H2,2H3/t12-/m1/s1.
What are the key properties of 4-methylidene-1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]piperidin-2-one?
4-methylidene-1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]piperidin-2-one has a molecular weight of 222.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]piperidin-2-one is sourced from PubChem (CID 143778320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).