4-[bis(prop-2-enyl)amino]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one

C26H32N2O — CID 110173878

IUPAC4-[bis(prop-2-enyl)amino]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one
SMILESC=CCN(CC=C)CCC(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32N2O/c1-3-18-27(19-4-2)22-17-26(23-13-7-5-8-14-23,24-15-9-6-10-16-24)25(29)28-20-11-12-21-28/h3-10,13-16H,1-2,11-12,17-22H2
InChIKeyABKAWLMSMNGCHB-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.66
Rot. Bonds10

About 4-[bis(prop-2-enyl)amino]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one

4-[bis(prop-2-enyl)amino]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 110173878) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)amino]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)amino]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one
PubChem CID110173878
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name4-[bis(prop-2-enyl)amino]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one
SMILESC=CCN(CC=C)CCC(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32N2O/c1-3-18-27(19-4-2)22-17-26(23-13-7-5-8-14-23,24-15-9-6-10-16-24)25(29)28-20-11-12-21-28/h3-10,13-16H,1-2,11-12,17-22H2
InChIKeyABKAWLMSMNGCHB-UHFFFAOYSA-N
XLogP4.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 3156
Methsuximide
CID 6476
Diphenamid
CID 13728
Isopropamide
CID 3775
Normethadone
CID 10090
Dextromoramide
CID 92943
Isopropamide Iodide
CID 6284
Fenpiverinium Bromide
CID 71489
Sameridine
CID 65996
1-((3R)-3-Methyl-4-(4-morpholinyl)-1-oxo-2,2-diphenylbutyl)pyrrolidine
CID 10453145
F 1459
CID 162185
Racemoramide
CID 9648

Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)amino]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-[bis(prop-2-enyl)amino]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one (CID 110173878) is 4-[bis(prop-2-enyl)amino]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-[bis(prop-2-enyl)amino]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-[bis(prop-2-enyl)amino]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one is C=CCN(CC=C)CCC(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[bis(prop-2-enyl)amino]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is ABKAWLMSMNGCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-3-18-27(19-4-2)22-17-26(23-13-7-5-8-14-23,24-15-9-6-10-16-24)25(29)28-20-11-12-21-28/h3-10,13-16H,1-2,11-12,17-22H2.
What are the key properties of 4-[bis(prop-2-enyl)amino]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one?
4-[bis(prop-2-enyl)amino]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 388.56 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)amino]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 110173878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).