(4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate

C12H13NO4 — CID 116819399

IUPAC(4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate
SMILESCOc1ccc(OC(=O)N2CCC(=O)C2)cc1
InChIInChI=1S/C12H13NO4/c1-16-10-2-4-11(5-3-10)17-12(15)13-7-6-9(14)8-13/h2-5H,6-8H2,1H3
InChIKeyLSNNBKLRFCVVQK-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.47
Rot. Bonds2

About (4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate

(4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate (PubChem CID 116819399) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is (4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate
PubChem CID116819399
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name(4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate
SMILESCOc1ccc(OC(=O)N2CCC(=O)C2)cc1
InChIInChI=1S/C12H13NO4/c1-16-10-2-4-11(5-3-10)17-12(15)13-7-6-9(14)8-13/h2-5H,6-8H2,1H3
InChIKeyLSNNBKLRFCVVQK-UHFFFAOYSA-N
XLogP1.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate
CID 116819425
(2-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate
CID 116819397
(4-fluorophenyl) 3-oxopiperidine-1-carboxylate
CID 116819308
(3,4-dimethylphenyl) 3-oxopiperidine-1-carboxylate
CID 116819331
phenyl 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110726098
(4-methoxyphenyl) 4-methyl-1,4-diazepane-1-carboxylate
CID 89421681
(2,4-dimethylphenyl) 3-oxopyrrolidine-1-carboxylate
CID 116819412
(3,4-difluorophenyl) 3-oxopiperidine-1-carboxylate
CID 116819341
phenyl 6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110756222
bis[(3-oxopyrrolidine-1-carbonyl)oxy]alumanyl 3-oxopyrrolidine-1-carboxylate
CID 139719841
phenyl 3-methylidenepyrrolidine-1-carboxylate
CID 141203105
1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one
CID 66242832

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate?
The IUPAC name of (4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate (CID 116819399) is (4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for (4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate?
The canonical SMILES for (4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate is COc1ccc(OC(=O)N2CCC(=O)C2)cc1.
What is the InChIKey of (4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate?
The InChIKey is LSNNBKLRFCVVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-16-10-2-4-11(5-3-10)17-12(15)13-7-6-9(14)8-13/h2-5H,6-8H2,1H3.
What are the key properties of (4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate?
(4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 116819399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).