ethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate

C15H19NO3 — CID 3738299

IUPACethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CN(C)CC1C(=O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-3-19-15(18)13-10-16(2)9-12(13)14(17)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3
InChIKeyWQKWIFSBDCEQNX-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.61
Rot. Bonds4

About ethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate

ethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate (PubChem CID 3738299) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate
PubChem CID3738299
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CN(C)CC1C(=O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-3-19-15(18)13-10-16(2)9-12(13)14(17)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3
InChIKeyWQKWIFSBDCEQNX-UHFFFAOYSA-N
XLogP1.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone
CID 4269490
ethyl 2-benzoylcyclopropane-1-carboxylate
CID 15568394
ethyl 4-(2,6-difluorophenyl)-1-methylpyrrolidine-3-carboxylate
CID 134162418
ethyl 3-benzoyl-2-oxocyclopentane-1-carboxylate
CID 22897624
ethyl 3-[(3S,5R)-3,5-dibenzoyl-4-phenylpiperidin-1-yl]propanoate
CID 68880450
ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate
CID 134162395
trans-2-O-ethyl 1-O-phenyl (1R,2R)-cyclopropane-1,2-dicarboxylate
CID 101070997
ethyl 1-benzoylaziridine-2-carboxylate
CID 121014721
3-O-benzyl 4-O-ethyl (3S,4S)-1-benzylpyrrolidine-3,4-dicarboxylate
CID 155095649
ethyl (3S,4S)-3-amino-1-benzylpiperidine-4-carboxylate;dihydrochloride
CID 155921053
ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate
CID 146401947
ethyl (3R,5R)-1-methyl-4-oxo-5-phenylpiperidine-3-carboxylate
CID 92859017

Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate (CID 3738299) is ethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate is CCOC(=O)C1CN(C)CC1C(=O)c1ccccc1.
What is the InChIKey of ethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate?
The InChIKey is WQKWIFSBDCEQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-19-15(18)13-10-16(2)9-12(13)14(17)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3.
What are the key properties of ethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate?
ethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 3738299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).