methyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate

C15H19NO2 — CID 15265293

IUPACmethyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate
SMILESC=C1CN(Cc2ccccc2)CC1CC(=O)OC
InChIInChI=1S/C15H19NO2/c1-12-9-16(10-13-6-4-3-5-7-13)11-14(12)8-15(17)18-2/h3-7,14H,1,8-11H2,2H3
InChIKeySTGSWKMFRRITLC-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.24
Rot. Bonds4

About methyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate

methyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate (PubChem CID 15265293) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate
PubChem CID15265293
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namemethyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate
SMILESC=C1CN(Cc2ccccc2)CC1CC(=O)OC
InChIInChI=1S/C15H19NO2/c1-12-9-16(10-13-6-4-3-5-7-13)11-14(12)8-15(17)18-2/h3-7,14H,1,8-11H2,2H3
InChIKeySTGSWKMFRRITLC-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.24
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

methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
CID 22710010
1-benzyl-3-methylidene-4-[(E)-pent-3-enyl]pyrrolidine
CID 10847705
methyl 2-[(3S,4S)-1-benzyl-3-(methylamino)piperidin-4-yl]acetate
CID 59110298
methyl 2-(4-benzoyl-1-benzyl-5-ethylpiperidin-3-yl)acetate
CID 102081555
methyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate
CID 90060732
1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone
CID 10889700
methyl (3aR,6aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 126573947
methyl 4-(1-benzyl-4-oxopyrrolidine-3-carbonyl)benzoate
CID 59136239
methyl 1-benzyl-4-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 68912699
2-(2-benzyl-3,4-dihydro-1H-isoquinolin-4-yl)-1-phenylethanone
CID 146163387
4-acetyl-1-benzylpyrrolidin-3-one
CID 73010900

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate?
The IUPAC name of methyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate (CID 15265293) is methyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate?
The canonical SMILES for methyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate is C=C1CN(Cc2ccccc2)CC1CC(=O)OC.
What is the InChIKey of methyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate?
The InChIKey is STGSWKMFRRITLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12-9-16(10-13-6-4-3-5-7-13)11-14(12)8-15(17)18-2/h3-7,14H,1,8-11H2,2H3.
What are the key properties of methyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate?
methyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate has a molecular weight of 245.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate is sourced from PubChem (CID 15265293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).