methyl 1-(1,2-dihydroacenaphthylen-5-ylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate

C19H19FN2O3 — CID 71865842

IUPACmethyl 1-(1,2-dihydroacenaphthylen-5-ylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate
SMILESCOC(=O)C1(F)CCN(C(=O)Nc2ccc3c4c(cccc24)CC3)C1
InChIInChI=1S/C19H19FN2O3/c1-25-17(23)19(20)9-10-22(11-19)18(24)21-15-8-7-13-6-5-12-3-2-4-14(15)16(12)13/h2-4,7-8H,5-6,9-11H2,1H3,(H,21,24)
InChIKeyZUTAMAJBFGVOKY-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.06
Rot. Bonds2

About methyl 1-(1,2-dihydroacenaphthylen-5-ylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate

methyl 1-(1,2-dihydroacenaphthylen-5-ylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate (PubChem CID 71865842) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is methyl 1-(1,2-dihydroacenaphthylen-5-ylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,2-dihydroacenaphthylen-5-ylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate
PubChem CID71865842
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Namemethyl 1-(1,2-dihydroacenaphthylen-5-ylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate
SMILESCOC(=O)C1(F)CCN(C(=O)Nc2ccc3c4c(cccc24)CC3)C1
InChIInChI=1S/C19H19FN2O3/c1-25-17(23)19(20)9-10-22(11-19)18(24)21-15-8-7-13-6-5-12-3-2-4-14(15)16(12)13/h2-4,7-8H,5-6,9-11H2,1H3,(H,21,24)
InChIKeyZUTAMAJBFGVOKY-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 1-(1,2-dihydroacenaphthylen-5-ylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3S)-3-fluoro-1-[(2-fluoro-5-pyrrol-1-ylphenyl)carbamoyl]pyrrolidine-3-carboxylate
CID 96999077
4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide
CID 112825337
1,2-dihydroacenaphthylen-5-ylthiourea
CID 851719
N-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide
CID 30309317
N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide
CID 7533068
methyl (3S)-3-fluoro-1-[[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]carbamoyl]pyrrolidine-3-carboxylate
CID 96566582
N-(1,2-dihydroacenaphthylen-5-yl)-1-phenylcyclopentane-1-carboxamide
CID 17148227
1-O-tert-butyl 3-O-methyl (3R)-3-fluoropyrrolidine-1,3-dicarboxylate
CID 86685754
N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 71980701
2-(2-methoxyethyl)-N-naphthalen-1-yl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 176504065
methyl (3S)-1-[2-(2,5-difluorophenyl)ethylcarbamoyl]-3-fluoropyrrolidine-3-carboxylate
CID 97062471
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-methoxyphenyl)acetamide
CID 35811813

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,2-dihydroacenaphthylen-5-ylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(1,2-dihydroacenaphthylen-5-ylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate (CID 71865842) is methyl 1-(1,2-dihydroacenaphthylen-5-ylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(1,2-dihydroacenaphthylen-5-ylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(1,2-dihydroacenaphthylen-5-ylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate is COC(=O)C1(F)CCN(C(=O)Nc2ccc3c4c(cccc24)CC3)C1.
What is the InChIKey of methyl 1-(1,2-dihydroacenaphthylen-5-ylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate?
The InChIKey is ZUTAMAJBFGVOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-25-17(23)19(20)9-10-22(11-19)18(24)21-15-8-7-13-6-5-12-3-2-4-14(15)16(12)13/h2-4,7-8H,5-6,9-11H2,1H3,(H,21,24).
What are the key properties of methyl 1-(1,2-dihydroacenaphthylen-5-ylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate?
methyl 1-(1,2-dihydroacenaphthylen-5-ylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate has a molecular weight of 342.37 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,2-dihydroacenaphthylen-5-ylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate is sourced from PubChem (CID 71865842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).