methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate

C15H19NO4 — CID 10446211

IUPACmethyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate
SMILESCCCOc1ccc(N2CC(C(=O)OC)CC2=O)cc1
InChIInChI=1S/C15H19NO4/c1-3-8-20-13-6-4-12(5-7-13)16-10-11(9-14(16)17)15(18)19-2/h4-7,11H,3,8-10H2,1-2H3
InChIKeyDOKWFCDNEBNXAO-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.00
Rot. Bonds5

About methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate

methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate (PubChem CID 10446211) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate
PubChem CID10446211
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate
SMILESCCCOc1ccc(N2CC(C(=O)OC)CC2=O)cc1
InChIInChI=1S/C15H19NO4/c1-3-8-20-13-6-4-12(5-7-13)16-10-11(9-14(16)17)15(18)19-2/h4-7,11H,3,8-10H2,1-2H3
InChIKeyDOKWFCDNEBNXAO-UHFFFAOYSA-N
XLogP2.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 99969292
(3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide
CID 95165446
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492
(3S)-1-(4-butoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2174533
methyl 5-oxo-1-[(4-propoxyphenyl)methyl]pyrrolidine-3-carboxylate
CID 154854179
methyl 1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 5165669
methyl (3R)-1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 1272534
methyl 5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 10084873
(3R)-N-(4-acetylphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7236687
(3R)-N-(2-methylphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7236685
1-(4-propoxyphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708183

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate (CID 10446211) is methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate is CCCOc1ccc(N2CC(C(=O)OC)CC2=O)cc1.
What is the InChIKey of methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate?
The InChIKey is DOKWFCDNEBNXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-8-20-13-6-4-12(5-7-13)16-10-11(9-14(16)17)15(18)19-2/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate?
methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 10446211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).