methyl 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate

C14H21FN2O3 — CID 71866434

IUPACmethyl 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate
SMILESCOC(=O)C1(F)CCN(C(=O)NCC2CC=CCC2)C1
InChIInChI=1S/C14H21FN2O3/c1-20-12(18)14(15)7-8-17(10-14)13(19)16-9-11-5-3-2-4-6-11/h2-3,11H,4-10H2,1H3,(H,16,19)
InChIKeyNJQARDNYDVCIQJ-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.64
Rot. Bonds3

About methyl 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate

methyl 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate (PubChem CID 71866434) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is methyl 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate
PubChem CID71866434
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Namemethyl 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate
SMILESCOC(=O)C1(F)CCN(C(=O)NCC2CC=CCC2)C1
InChIInChI=1S/C14H21FN2O3/c1-20-12(18)14(15)7-8-17(10-14)13(19)16-9-11-5-3-2-4-6-11/h2-3,11H,4-10H2,1H3,(H,16,19)
InChIKeyNJQARDNYDVCIQJ-UHFFFAOYSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-3,5-dimethylpiperidine-1-carboxamide
CID 60593450
methyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate
CID 124593338
N-(cyclohex-3-en-1-ylmethyl)-1,4-thiazepane-4-carboxamide
CID 128950604
methyl 2-(cyclohex-3-en-1-ylmethylamino)-2-oxoacetate
CID 112617086
methyl (3S)-1-[2-(2,5-difluorophenyl)ethylcarbamoyl]-3-fluoropyrrolidine-3-carboxylate
CID 97062471
N-(cyclohex-3-en-1-ylmethyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 146149857
N-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide
CID 126790248
1-(cyclohex-3-en-1-ylmethyl)-3-propylurea
CID 89090826
1-O-tert-butyl 3-O-methyl (3R)-3-fluoropyrrolidine-1,3-dicarboxylate
CID 86685754
N-(cyclohex-3-en-1-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 49128178
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 97075643
1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425494

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate (CID 71866434) is methyl 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate is COC(=O)C1(F)CCN(C(=O)NCC2CC=CCC2)C1.
What is the InChIKey of methyl 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate?
The InChIKey is NJQARDNYDVCIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-20-12(18)14(15)7-8-17(10-14)13(19)16-9-11-5-3-2-4-6-11/h2-3,11H,4-10H2,1H3,(H,16,19).
What are the key properties of methyl 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate?
methyl 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate has a molecular weight of 284.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate is sourced from PubChem (CID 71866434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).