5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]piperidin-2-one

C20H33N3O2 — CID 45206187

IUPAC5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]piperidin-2-one
SMILESC=CCC1(CC=C)CCCN1C(=O)C1CCC(=O)N(CCN(C)C)C1
InChIInChI=1S/C20H33N3O2/c1-5-10-20(11-6-2)12-7-13-23(20)19(25)17-8-9-18(24)22(16-17)15-14-21(3)4/h5-6,17H,1-2,7-16H2,3-4H3
InChIKeyHBCKWTDYPAETNN-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.30
Rot. Bonds8

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

5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]piperidin-2-one (PubChem CID 45206187) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]piperidin-2-one.

Molecular Properties

Compound Name5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]piperidin-2-one
PubChem CID45206187
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]piperidin-2-one
SMILESC=CCC1(CC=C)CCCN1C(=O)C1CCC(=O)N(CCN(C)C)C1
InChIInChI=1S/C20H33N3O2/c1-5-10-20(11-6-2)12-7-13-23(20)19(25)17-8-9-18(24)22(16-17)15-14-21(3)4/h5-6,17H,1-2,7-16H2,3-4H3
InChIKeyHBCKWTDYPAETNN-UHFFFAOYSA-N
XLogP2.30
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]piperidin-2-one?
The IUPAC name of 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]piperidin-2-one (CID 45206187) is 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]piperidin-2-one.
What is the SMILES notation for 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]piperidin-2-one?
The canonical SMILES for 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]piperidin-2-one is C=CCC1(CC=C)CCCN1C(=O)C1CCC(=O)N(CCN(C)C)C1.
What is the InChIKey of 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]piperidin-2-one?
The InChIKey is HBCKWTDYPAETNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-5-10-20(11-6-2)12-7-13-23(20)19(25)17-8-9-18(24)22(16-17)15-14-21(3)4/h5-6,17H,1-2,7-16H2,3-4H3.
What are the key properties of 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]piperidin-2-one?
5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]piperidin-2-one has a molecular weight of 347.50 g/mol, XLogP of 2.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]piperidin-2-one is sourced from PubChem (CID 45206187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).