5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-cyclopentylpiperidin-2-one

C21H32N2O2 — CID 45241633

IUPAC5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-cyclopentylpiperidin-2-one
SMILESC=CCC1(CC=C)CCCN1C(=O)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C21H32N2O2/c1-3-12-21(13-4-2)14-7-15-23(21)20(25)17-10-11-19(24)22(16-17)18-8-5-6-9-18/h3-4,17-18H,1-2,5-16H2
InChIKeyRLODQOOJGGBVAV-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.68
Rot. Bonds6

About 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-cyclopentylpiperidin-2-one

5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-cyclopentylpiperidin-2-one (PubChem CID 45241633) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-cyclopentylpiperidin-2-one.

Molecular Properties

Compound Name5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-cyclopentylpiperidin-2-one
PubChem CID45241633
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-cyclopentylpiperidin-2-one
SMILESC=CCC1(CC=C)CCCN1C(=O)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C21H32N2O2/c1-3-12-21(13-4-2)14-7-15-23(21)20(25)17-10-11-19(24)22(16-17)18-8-5-6-9-18/h3-4,17-18H,1-2,5-16H2
InChIKeyRLODQOOJGGBVAV-UHFFFAOYSA-N
XLogP3.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.68
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 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-cyclopentylpiperidin-2-one?
The IUPAC name of 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-cyclopentylpiperidin-2-one (CID 45241633) is 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-cyclopentylpiperidin-2-one.
What is the SMILES notation for 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-cyclopentylpiperidin-2-one?
The canonical SMILES for 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-cyclopentylpiperidin-2-one is C=CCC1(CC=C)CCCN1C(=O)C1CCC(=O)N(C2CCCC2)C1.
What is the InChIKey of 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-cyclopentylpiperidin-2-one?
The InChIKey is RLODQOOJGGBVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-3-12-21(13-4-2)14-7-15-23(21)20(25)17-10-11-19(24)22(16-17)18-8-5-6-9-18/h3-4,17-18H,1-2,5-16H2.
What are the key properties of 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-cyclopentylpiperidin-2-one?
5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-cyclopentylpiperidin-2-one has a molecular weight of 344.50 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-cyclopentylpiperidin-2-one is sourced from PubChem (CID 45241633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).