3-(furan-2-yl)pyrrolidine-1-carboxamide

C9H12N2O2 — CID 131041480

IUPAC3-(furan-2-yl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(c2ccco2)C1
InChIInChI=1S/C9H12N2O2/c10-9(12)11-4-3-7(6-11)8-2-1-5-13-8/h1-2,5,7H,3-4,6H2,(H2,10,12)
InChIKeyBXLIJGIXZTVSCL-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.15
Rot. Bonds1

About 3-(furan-2-yl)pyrrolidine-1-carboxamide

3-(furan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 131041480) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-(furan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)pyrrolidine-1-carboxamide
PubChem CID131041480
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-(furan-2-yl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(c2ccco2)C1
InChIInChI=1S/C9H12N2O2/c10-9(12)11-4-3-7(6-11)8-2-1-5-13-8/h1-2,5,7H,3-4,6H2,(H2,10,12)
InChIKeyBXLIJGIXZTVSCL-UHFFFAOYSA-N
XLogP1.15
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide
CID 134368012
[3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110603786
[3-(furan-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110667356
methyl 4-[3-(furan-2-yl)pyrrolidin-1-yl]-4-oxobutanoate
CID 110667373
[3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110667359
[3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110423788
3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110667360
(3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 110612224
1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 110421523
2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 110619870
1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione
CID 110421538
(2-chloro-5-nitrophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 75370875

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(furan-2-yl)pyrrolidine-1-carboxamide (CID 131041480) is 3-(furan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(furan-2-yl)pyrrolidine-1-carboxamide is NC(=O)N1CCC(c2ccco2)C1.
What is the InChIKey of 3-(furan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is BXLIJGIXZTVSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-9(12)11-4-3-7(6-11)8-2-1-5-13-8/h1-2,5,7H,3-4,6H2,(H2,10,12).
What are the key properties of 3-(furan-2-yl)pyrrolidine-1-carboxamide?
3-(furan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 131041480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).