undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

C21H33NO4 — CID 91724066

IUPACundecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCOC(=O)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C21H33NO4/c1-2-3-4-5-6-7-8-9-10-16-26-21(24)18-13-11-15-22(18)20(23)19-14-12-17-25-19/h12,14,17-18H,2-11,13,15-16H2,1H3
InChIKeyWXOXICIVEZMSSL-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.96
Rot. Bonds12

About undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 91724066) has the molecular formula C21H33NO4 and a molecular weight of 363.50 g/mol. Its IUPAC name is undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameundecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID91724066
Molecular FormulaC21H33NO4
Molecular Weight363.50 g/mol
Exact Mass363.24
IUPAC Nameundecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCOC(=O)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C21H33NO4/c1-2-3-4-5-6-7-8-9-10-16-26-21(24)18-13-11-15-22(18)20(23)19-14-12-17-25-19/h12,14,17-18H,2-11,13,15-16H2,1H3
InChIKeyWXOXICIVEZMSSL-UHFFFAOYSA-N
XLogP4.96
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944214
heptyl 1-(2-phenylacetyl)pyrrolidine-2-carboxylate
CID 91695529
pentyl 1-(2-phenylacetyl)pyrrolidine-2-carboxylate
CID 91695537
heptyl 1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 91716545
nonyl 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 91695582
hexyl 1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate
CID 91722290
butyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 24658807
nonyl 1-(3-methylbenzoyl)pyrrolidine-2-carboxylate
CID 91710725
tetradecyl 1-(2-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 91715353
tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 81002523
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944359
hexyl (2S)-1-acetylpyrrolidine-2-carboxylate
CID 66695142

Frequently Asked Questions

What is the IUPAC name of undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (CID 91724066) is undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is CCCCCCCCCCCOC(=O)C1CCCN1C(=O)c1ccco1.
What is the InChIKey of undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is WXOXICIVEZMSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO4/c1-2-3-4-5-6-7-8-9-10-16-26-21(24)18-13-11-15-22(18)20(23)19-14-12-17-25-19/h12,14,17-18H,2-11,13,15-16H2,1H3.
What are the key properties of undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 363.50 g/mol, XLogP of 4.96, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 91724066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).