1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

C16H22N2O4 — CID 110023696

IUPAC1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(O)C1CCN(C(=O)C2CC(=O)N(Cc3ccco3)C2)C1
InChIInChI=1S/C16H22N2O4/c1-11(19)12-4-5-17(8-12)16(21)13-7-15(20)18(9-13)10-14-3-2-6-22-14/h2-3,6,11-13,19H,4-5,7-10H2,1H3
InChIKeyZSAAYGSJWJRBJI-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.86
Rot. Bonds4

About 1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 110023696) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID110023696
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(O)C1CCN(C(=O)C2CC(=O)N(Cc3ccco3)C2)C1
InChIInChI=1S/C16H22N2O4/c1-11(19)12-4-5-17(8-12)16(21)13-7-15(20)18(9-13)10-14-3-2-6-22-14/h2-3,6,11-13,19H,4-5,7-10H2,1H3
InChIKeyZSAAYGSJWJRBJI-UHFFFAOYSA-N
XLogP0.86
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethyl)-4-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55950449
1-(furan-2-ylmethyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110886753
1-(furan-2-ylmethyl)-4-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 112763061
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 43002728
1-(furan-2-ylmethyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51263184
1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51148502
3-[(3S)-1-[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 124700679
1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256642
(4R)-1-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93017405
(4S)-1-(furan-2-ylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95273779
4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 55619923

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 110023696) is 1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is CC(O)C1CCN(C(=O)C2CC(=O)N(Cc3ccco3)C2)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is ZSAAYGSJWJRBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11(19)12-4-5-17(8-12)16(21)13-7-15(20)18(9-13)10-14-3-2-6-22-14/h2-3,6,11-13,19H,4-5,7-10H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 306.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110023696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).