4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid

C16H21NO4 — CID 120674179

IUPAC4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCCC2c2ccco2)CC1
InChIInChI=1S/C16H21NO4/c18-15(11-5-7-12(8-6-11)16(19)20)17-9-1-3-13(17)14-4-2-10-21-14/h2,4,10-13H,1,3,5-9H2,(H,19,20)
InChIKeyFCYWSCFQEIQZKU-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.83
Rot. Bonds3

About 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid

4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 120674179) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID120674179
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCCC2c2ccco2)CC1
InChIInChI=1S/C16H21NO4/c18-15(11-5-7-12(8-6-11)16(19)20)17-9-1-3-13(17)14-4-2-10-21-14/h2,4,10-13H,1,3,5-9H2,(H,19,20)
InChIKeyFCYWSCFQEIQZKU-UHFFFAOYSA-N
XLogP2.83
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 99851614
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 51346068
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
[2-(furan-2-yl)pyrrolidin-1-yl]-(3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanone
CID 136543492
4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674060
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862
2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid
CID 42575452
4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672807
5-[2-(furan-2-yl)azepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119136063
[2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 154801022

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 120674179) is 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N2CCCC2c2ccco2)CC1.
What is the InChIKey of 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is FCYWSCFQEIQZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c18-15(11-5-7-12(8-6-11)16(19)20)17-9-1-3-13(17)14-4-2-10-21-14/h2,4,10-13H,1,3,5-9H2,(H,19,20).
What are the key properties of 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).