5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one

C23H35N3O3 — CID 45232939

IUPAC5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
SMILESC=CCC1(CC=C)CCCN1C(=O)C1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C23H35N3O3/c1-3-11-23(12-4-2)13-6-17-26(23)22(29)19-9-10-21(28)25(18-19)16-7-15-24-14-5-8-20(24)27/h3-4,19H,1-2,5-18H2
InChIKeyXUCHXXUWSWNXMH-UHFFFAOYSA-N
MW401.55 g/mol
LogP2.75
Rot. Bonds9

About 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one

5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one (PubChem CID 45232939) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one.

Molecular Properties

Compound Name5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
PubChem CID45232939
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
SMILESC=CCC1(CC=C)CCCN1C(=O)C1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C23H35N3O3/c1-3-11-23(12-4-2)13-6-17-26(23)22(29)19-9-10-21(28)25(18-19)16-7-15-24-14-5-8-20(24)27/h3-4,19H,1-2,5-18H2
InChIKeyXUCHXXUWSWNXMH-UHFFFAOYSA-N
XLogP2.75
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
CID 25294835
(5R)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
CID 25294836
(5R)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
CID 26332876
(5S)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
CID 26332879
1-(Cyclohexylmethyl)-5-[(2,2-diallyl-1-pyrrolidinyl)carbonyl]-2-piperidinone
CID 45199823
5-[2,2-Bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]piperidin-2-one
CID 45206187
7-(Cyclohexylmethyl)-2-(4-pentenoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45209698
1-Cyclopentyl-5-[(2,2-diallyl-1-pyrrolidinyl)carbonyl]-2-piperidinone
CID 45241633

Frequently Asked Questions

What is the IUPAC name of 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one?
The IUPAC name of 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one (CID 45232939) is 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one.
What is the SMILES notation for 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one?
The canonical SMILES for 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one is C=CCC1(CC=C)CCCN1C(=O)C1CCC(=O)N(CCCN2CCCC2=O)C1.
What is the InChIKey of 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one?
The InChIKey is XUCHXXUWSWNXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-3-11-23(12-4-2)13-6-17-26(23)22(29)19-9-10-21(28)25(18-19)16-7-15-24-14-5-8-20(24)27/h3-4,19H,1-2,5-18H2.
What are the key properties of 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one?
5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one has a molecular weight of 401.55 g/mol, XLogP of 2.75, 9 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-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one is sourced from PubChem (CID 45232939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).