1-(1-ethylpiperidin-3-yl)pyrrolidin-3-one

C11H20N2O — CID 61480419

IUPAC1-(1-ethylpiperidin-3-yl)pyrrolidin-3-one
SMILESCCN1CCCC(N2CCC(=O)C2)C1
InChIInChI=1S/C11H20N2O/c1-2-12-6-3-4-10(8-12)13-7-5-11(14)9-13/h10H,2-9H2,1H3
InChIKeyJUNVAGYNFADEDR-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.75
Rot. Bonds2

About 1-(1-ethylpiperidin-3-yl)pyrrolidin-3-one

1-(1-ethylpiperidin-3-yl)pyrrolidin-3-one (PubChem CID 61480419) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)pyrrolidin-3-one
PubChem CID61480419
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(1-ethylpiperidin-3-yl)pyrrolidin-3-one
SMILESCCN1CCCC(N2CCC(=O)C2)C1
InChIInChI=1S/C11H20N2O/c1-2-12-6-3-4-10(8-12)13-7-5-11(14)9-13/h10H,2-9H2,1H3
InChIKeyJUNVAGYNFADEDR-UHFFFAOYSA-N
XLogP0.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)pyrrolidin-3-one?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)pyrrolidin-3-one (CID 61480419) is 1-(1-ethylpiperidin-3-yl)pyrrolidin-3-one.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)pyrrolidin-3-one?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)pyrrolidin-3-one is CCN1CCCC(N2CCC(=O)C2)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)pyrrolidin-3-one?
The InChIKey is JUNVAGYNFADEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-12-6-3-4-10(8-12)13-7-5-11(14)9-13/h10H,2-9H2,1H3.
What are the key properties of 1-(1-ethylpiperidin-3-yl)pyrrolidin-3-one?
1-(1-ethylpiperidin-3-yl)pyrrolidin-3-one has a molecular weight of 196.29 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)pyrrolidin-3-one is sourced from PubChem (CID 61480419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).