methyl 4-(9H-fluoren-2-yloxy)-5-oxopyrrolidine-2-carboxylate

C19H17NO4 — CID 22107118

IUPACmethyl 4-(9H-fluoren-2-yloxy)-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccc3c(c2)Cc2ccccc2-3)C(=O)N1
InChIInChI=1S/C19H17NO4/c1-23-19(22)16-10-17(18(21)20-16)24-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9,16-17H,8,10H2,1H3,(H,20,21)
InChIKeyGFZQTRDOQOSFIQ-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.07
Rot. Bonds3

About methyl 4-(9H-fluoren-2-yloxy)-5-oxopyrrolidine-2-carboxylate

methyl 4-(9H-fluoren-2-yloxy)-5-oxopyrrolidine-2-carboxylate (PubChem CID 22107118) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 4-(9H-fluoren-2-yloxy)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(9H-fluoren-2-yloxy)-5-oxopyrrolidine-2-carboxylate
PubChem CID22107118
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namemethyl 4-(9H-fluoren-2-yloxy)-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccc3c(c2)Cc2ccccc2-3)C(=O)N1
InChIInChI=1S/C19H17NO4/c1-23-19(22)16-10-17(18(21)20-16)24-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9,16-17H,8,10H2,1H3,(H,20,21)
InChIKeyGFZQTRDOQOSFIQ-UHFFFAOYSA-N
XLogP2.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxooxolan-3-yl)-2-(4-phenylphenoxy)acetamide
CID 16259481
(2S,4S)-4-[4-(6-phenylhexyl)-3-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylic acid
CID 25005853
5-[[9-(1,1-Difluoroethyl)-9-hydroxyfluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 68272948
(2S)-4-[4-(6-phenylhexyl)-3-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylic acid
CID 71070491
(2R,4S)-4-[4-(6-phenylhexyl)-3-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylic acid
CID 71070496
(2R,4R)-4-[4-(6-phenylhexyl)-3-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylic acid
CID 71070508
(2S,4R)-4-[4-(6-phenylhexyl)-3-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylic acid
CID 143734014
benzyl (2S,2'S)-5'-oxospiro[3H-1-benzofuran-2,4'-pyrrolidine]-2'-carboxylate
CID 134865514
benzyl (2R,2'S)-5'-oxospiro[3H-1-benzofuran-2,4'-pyrrolidine]-2'-carboxylate
CID 134865700
[2-(cyclohexylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4317895
2-indan-5-yloxy-N-(oxolan-2-ylmethyl)butanamide
CID 17249161
Methyl 3-(4-(6-hexylphenyl)phenoxy)-2-pyrrolidone-5-carboxylate
CID 22107101

Frequently Asked Questions

What is the IUPAC name of methyl 4-(9H-fluoren-2-yloxy)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-(9H-fluoren-2-yloxy)-5-oxopyrrolidine-2-carboxylate (CID 22107118) is methyl 4-(9H-fluoren-2-yloxy)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-(9H-fluoren-2-yloxy)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-(9H-fluoren-2-yloxy)-5-oxopyrrolidine-2-carboxylate is COC(=O)C1CC(Oc2ccc3c(c2)Cc2ccccc2-3)C(=O)N1.
What is the InChIKey of methyl 4-(9H-fluoren-2-yloxy)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is GFZQTRDOQOSFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-23-19(22)16-10-17(18(21)20-16)24-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9,16-17H,8,10H2,1H3,(H,20,21).
What are the key properties of methyl 4-(9H-fluoren-2-yloxy)-5-oxopyrrolidine-2-carboxylate?
methyl 4-(9H-fluoren-2-yloxy)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(9H-fluoren-2-yloxy)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 22107118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).