N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide

C12H16N2O4 — CID 62917113

IUPACN-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide
SMILESO=C(NCCC(=O)N1CCC(O)C1)c1ccoc1
InChIInChI=1S/C12H16N2O4/c15-10-2-5-14(7-10)11(16)1-4-13-12(17)9-3-6-18-8-9/h3,6,8,10,15H,1-2,4-5,7H2,(H,13,17)
InChIKeyCPPBRNMQTXEPTL-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.01
Rot. Bonds4

About N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide

N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide (PubChem CID 62917113) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide
PubChem CID62917113
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide
SMILESO=C(NCCC(=O)N1CCC(O)C1)c1ccoc1
InChIInChI=1S/C12H16N2O4/c15-10-2-5-14(7-10)11(16)1-4-13-12(17)9-3-6-18-8-9/h3,6,8,10,15H,1-2,4-5,7H2,(H,13,17)
InChIKeyCPPBRNMQTXEPTL-UHFFFAOYSA-N
XLogP-0.01
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-3-carboxamide
CID 115775397
N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide
CID 111561014
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 62916407
1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355669
N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 79030088
N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide
CID 62046066
4-[[3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid
CID 166590747
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 107224907
N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-3-carboxamide
CID 38699898
N-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide
CID 47089544
N-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 63608264
N-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 31414440

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide (CID 62917113) is N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide is O=C(NCCC(=O)N1CCC(O)C1)c1ccoc1.
What is the InChIKey of N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide?
The InChIKey is CPPBRNMQTXEPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-10-2-5-14(7-10)11(16)1-4-13-12(17)9-3-6-18-8-9/h3,6,8,10,15H,1-2,4-5,7H2,(H,13,17).
What are the key properties of N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide?
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 62917113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).