9H-fluoren-9-ylmethyl 2,5-dioxo-3-pentylpyrrolidine-3-carboxylate

C24H25NO4 — CID 175388554

IUPAC9H-fluoren-9-ylmethyl 2,5-dioxo-3-pentylpyrrolidine-3-carboxylate
SMILESCCCCCC1(C(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)NC1=O
InChIInChI=1S/C24H25NO4/c1-2-3-8-13-24(14-21(26)25-22(24)27)23(28)29-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20H,2-3,8,13-15H2,1H3,(H,25,26,27)
InChIKeyVGNWNQLWLHNRLD-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.96
Rot. Bonds7

About 9H-fluoren-9-ylmethyl 2,5-dioxo-3-pentylpyrrolidine-3-carboxylate

9H-fluoren-9-ylmethyl 2,5-dioxo-3-pentylpyrrolidine-3-carboxylate (PubChem CID 175388554) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2,5-dioxo-3-pentylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2,5-dioxo-3-pentylpyrrolidine-3-carboxylate
PubChem CID175388554
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name9H-fluoren-9-ylmethyl 2,5-dioxo-3-pentylpyrrolidine-3-carboxylate
SMILESCCCCCC1(C(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)NC1=O
InChIInChI=1S/C24H25NO4/c1-2-3-8-13-24(14-21(26)25-22(24)27)23(28)29-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20H,2-3,8,13-15H2,1H3,(H,25,26,27)
InChIKeyVGNWNQLWLHNRLD-UHFFFAOYSA-N
XLogP3.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

butyl 9H-fluoren-9-ylmethyl carbonate
CID 114289496
9H-fluoren-9-ylmethyl 3-decyl-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171955904
2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid
CID 163288654
9H-fluoren-9-ylmethyl 3-methyldithiirane-3-carboxylate
CID 58932762
2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
CID 125449008
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270
9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate
CID 71433298
2-[(9H-fluoren-9-ylmethoxycarbonylamino)-pentylamino]acetic acid
CID 58152522
9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate
CID 66869994
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid
CID 95897978
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454
9H-fluoren-9-ylmethyl 3-nonanoyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171945338

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2,5-dioxo-3-pentylpyrrolidine-3-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2,5-dioxo-3-pentylpyrrolidine-3-carboxylate (CID 175388554) is 9H-fluoren-9-ylmethyl 2,5-dioxo-3-pentylpyrrolidine-3-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2,5-dioxo-3-pentylpyrrolidine-3-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2,5-dioxo-3-pentylpyrrolidine-3-carboxylate is CCCCCC1(C(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)NC1=O.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2,5-dioxo-3-pentylpyrrolidine-3-carboxylate?
The InChIKey is VGNWNQLWLHNRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-2-3-8-13-24(14-21(26)25-22(24)27)23(28)29-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20H,2-3,8,13-15H2,1H3,(H,25,26,27).
What are the key properties of 9H-fluoren-9-ylmethyl 2,5-dioxo-3-pentylpyrrolidine-3-carboxylate?
9H-fluoren-9-ylmethyl 2,5-dioxo-3-pentylpyrrolidine-3-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2,5-dioxo-3-pentylpyrrolidine-3-carboxylate is sourced from PubChem (CID 175388554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).