N-[2-(hydroxymethyl)-5-oxo-2H-furan-3-yl]pyrrolidine-2-carboxamide

C10H14N2O4 — CID 143111075

IUPACN-[2-(hydroxymethyl)-5-oxo-2H-furan-3-yl]pyrrolidine-2-carboxamide
SMILESO=C1C=C(NC(=O)C2CCCN2)C(CO)O1
InChIInChI=1S/C10H14N2O4/c13-5-8-7(4-9(14)16-8)12-10(15)6-2-1-3-11-6/h4,6,8,11,13H,1-3,5H2,(H,12,15)
InChIKeyGSCUBNXNAFCNDL-UHFFFAOYSA-N
MW226.23 g/mol
LogP-1.34
Rot. Bonds3

About N-[2-(hydroxymethyl)-5-oxo-2H-furan-3-yl]pyrrolidine-2-carboxamide

N-[2-(hydroxymethyl)-5-oxo-2H-furan-3-yl]pyrrolidine-2-carboxamide (PubChem CID 143111075) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-5-oxo-2H-furan-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-5-oxo-2H-furan-3-yl]pyrrolidine-2-carboxamide
PubChem CID143111075
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC NameN-[2-(hydroxymethyl)-5-oxo-2H-furan-3-yl]pyrrolidine-2-carboxamide
SMILESO=C1C=C(NC(=O)C2CCCN2)C(CO)O1
InChIInChI=1S/C10H14N2O4/c13-5-8-7(4-9(14)16-8)12-10(15)6-2-1-3-11-6/h4,6,8,11,13H,1-3,5H2,(H,12,15)
InChIKeyGSCUBNXNAFCNDL-UHFFFAOYSA-N
XLogP-1.34
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940
N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 55119315
N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43710720
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 107680422
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
(2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide
CID 61178864
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-5-oxo-2H-furan-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)-5-oxo-2H-furan-3-yl]pyrrolidine-2-carboxamide (CID 143111075) is N-[2-(hydroxymethyl)-5-oxo-2H-furan-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-5-oxo-2H-furan-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)-5-oxo-2H-furan-3-yl]pyrrolidine-2-carboxamide is O=C1C=C(NC(=O)C2CCCN2)C(CO)O1.
What is the InChIKey of N-[2-(hydroxymethyl)-5-oxo-2H-furan-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is GSCUBNXNAFCNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-5-8-7(4-9(14)16-8)12-10(15)6-2-1-3-11-6/h4,6,8,11,13H,1-3,5H2,(H,12,15).
What are the key properties of N-[2-(hydroxymethyl)-5-oxo-2H-furan-3-yl]pyrrolidine-2-carboxamide?
N-[2-(hydroxymethyl)-5-oxo-2H-furan-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 226.23 g/mol, XLogP of -1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-5-oxo-2H-furan-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143111075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).