(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate

C23H27NO2 — CID 3079230

IUPAC(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate
SMILESCC1CCC2CCC(COC(=O)C(c3ccccc3)c3ccccc3)N12
InChIInChI=1S/C23H27NO2/c1-17-12-13-20-14-15-21(24(17)20)16-26-23(25)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-22H,12-16H2,1H3
InChIKeyLVKQJFNPPSQLKL-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.38
Rot. Bonds5

About (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate

(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate (PubChem CID 3079230) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate.

Molecular Properties

Compound Name(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate
PubChem CID3079230
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate
SMILESCC1CCC2CCC(COC(=O)C(c3ccccc3)c3ccccc3)N12
InChIInChI=1S/C23H27NO2/c1-17-12-13-20-14-15-21(24(17)20)16-26-23(25)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-22H,12-16H2,1H3
InChIKeyLVKQJFNPPSQLKL-UHFFFAOYSA-N
XLogP4.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Adiphenine
CID 2031
[(2R)-7,7-dimethyl-7-azoniabicyclo[2.2.1]heptan-2-yl] (2S)-2-cyclopentyl-2-phenylpropanoate
CID 86765983
2-(3,3-Dimethylpyrrolidin-1-yl)ethyl 2-cyclohex-2-en-1-yl-2-phenylacetate
CID 407413
5-[[Methyl(propan-2-yl)amino]methyl]-3,3-diphenyloxolan-2-one
CID 9996313
5-[[Ethyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one
CID 10335510
5-(Diethylaminomethyl)-3,3-diphenyloxolan-2-one;hydrochloride
CID 24183204
Diphenyl-acetic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester
CID 24746800
(1-Methylpyrrolidin-3-yl) 2,2-diphenylpropanoate
CID 45267212
2-Pyrrolidin-1-ylethyl 2,2-diphenylpropanoate
CID 45267213
2-(1-Methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate
CID 45267220
(1-Methylpiperidin-2-yl)methyl 2,2-diphenylpropanoate
CID 45270630
[(6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-yl] 2,2-diphenylpropanoate
CID 71452754

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate?
The IUPAC name of (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate (CID 3079230) is (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate.
What is the SMILES notation for (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate?
The canonical SMILES for (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate is CC1CCC2CCC(COC(=O)C(c3ccccc3)c3ccccc3)N12.
What is the InChIKey of (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate?
The InChIKey is LVKQJFNPPSQLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-17-12-13-20-14-15-21(24(17)20)16-26-23(25)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-22H,12-16H2,1H3.
What are the key properties of (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate?
(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate has a molecular weight of 349.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate is sourced from PubChem (CID 3079230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).