furan-3-yl-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone;N-propan-2-ylacetamide

C15H24N2O4 — CID 143239707

IUPACfuran-3-yl-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone;N-propan-2-ylacetamide
SMILESCC(=O)NC(C)C.CC1CC(O)CN1C(=O)c1ccoc1
InChIInChI=1S/C10H13NO3.C5H11NO/c1-7-4-9(12)5-11(7)10(13)8-2-3-14-6-8;1-4(2)6-5(3)7/h2-3,6-7,9,12H,4-5H2,1H3;4H,1-3H3,(H,6,7)
InChIKeyKIVBNTROGZHYDB-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.41
Rot. Bonds2

About furan-3-yl-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone;N-propan-2-ylacetamide

furan-3-yl-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone;N-propan-2-ylacetamide (PubChem CID 143239707) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is furan-3-yl-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone;N-propan-2-ylacetamide.

Molecular Properties

Compound Namefuran-3-yl-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone;N-propan-2-ylacetamide
PubChem CID143239707
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Namefuran-3-yl-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone;N-propan-2-ylacetamide
SMILESCC(=O)NC(C)C.CC1CC(O)CN1C(=O)c1ccoc1
InChIInChI=1S/C10H13NO3.C5H11NO/c1-7-4-9(12)5-11(7)10(13)8-2-3-14-6-8;1-4(2)6-5(3)7/h2-3,6-7,9,12H,4-5H2,1H3;4H,1-3H3,(H,6,7)
InChIKeyKIVBNTROGZHYDB-UHFFFAOYSA-N
XLogP1.41
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 5276347
1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083728
(2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone
CID 128538257
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone
CID 81212545
furan-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481618
[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone
CID 99778999
furan-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
CID 99816902
furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738155
1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356772
N-butan-2-yl-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
CID 46071052
(3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
CID 92999981
(2S)-1-[(2R)-4-hydroxy-2-methylpyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 163386527

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone;N-propan-2-ylacetamide?
The IUPAC name of furan-3-yl-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone;N-propan-2-ylacetamide (CID 143239707) is furan-3-yl-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone;N-propan-2-ylacetamide.
What is the SMILES notation for furan-3-yl-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone;N-propan-2-ylacetamide?
The canonical SMILES for furan-3-yl-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone;N-propan-2-ylacetamide is CC(=O)NC(C)C.CC1CC(O)CN1C(=O)c1ccoc1.
What is the InChIKey of furan-3-yl-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone;N-propan-2-ylacetamide?
The InChIKey is KIVBNTROGZHYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.C5H11NO/c1-7-4-9(12)5-11(7)10(13)8-2-3-14-6-8;1-4(2)6-5(3)7/h2-3,6-7,9,12H,4-5H2,1H3;4H,1-3H3,(H,6,7).
What are the key properties of furan-3-yl-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone;N-propan-2-ylacetamide?
furan-3-yl-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone;N-propan-2-ylacetamide has a molecular weight of 296.37 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone;N-propan-2-ylacetamide is sourced from PubChem (CID 143239707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).