1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride

C18H14ClNO2 — CID 50879672

IUPAC1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride
SMILESO=C(Cl)C1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1
InChIInChI=1S/C18H14ClNO2/c19-18(22)13-9-17(21)20(10-13)14-5-6-16-12(8-14)7-11-3-1-2-4-15(11)16/h1-6,8,13H,7,9-10H2
InChIKeySNKQZBVLCRIERG-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.38
Rot. Bonds2

About 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride

1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride (PubChem CID 50879672) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride.

Molecular Properties

Compound Name1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride
PubChem CID50879672
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride
SMILESO=C(Cl)C1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1
InChIInChI=1S/C18H14ClNO2/c19-18(22)13-9-17(21)20(10-13)14-5-6-16-12(8-14)7-11-3-1-2-4-15(11)16/h1-6,8,13H,7,9-10H2
InChIKeySNKQZBVLCRIERG-UHFFFAOYSA-N
XLogP3.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 51616571
1-(9H-fluoren-2-yl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119562298
(1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 56799248
4-ethenyl-1-(9H-fluoren-2-yl)pyrrolidin-2-one
CID 168685806
(3S)-1-(9H-fluoren-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97196828
5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride
CID 50873745
1-(9H-fluoren-2-yl)-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119540813
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one
CID 120808303
(3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 99988733
1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873905
(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075786
(3S)-1-(4-carbonochloridoylphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 98128605

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride?
The IUPAC name of 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride (CID 50879672) is 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride.
What is the SMILES notation for 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride?
The canonical SMILES for 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride is O=C(Cl)C1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1.
What is the InChIKey of 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride?
The InChIKey is SNKQZBVLCRIERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c19-18(22)13-9-17(21)20(10-13)14-5-6-16-12(8-14)7-11-3-1-2-4-15(11)16/h1-6,8,13H,7,9-10H2.
What are the key properties of 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride?
1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride has a molecular weight of 311.77 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride is sourced from PubChem (CID 50879672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).