4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one

C13H20N2O2 — CID 79203456

IUPAC4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
SMILESCC(O)CCC(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C13H20N2O2/c1-10(16)6-7-13(17)15-9-3-5-12(15)11-4-2-8-14-11/h2,4,8,10,12,14,16H,3,5-7,9H2,1H3
InChIKeyYHKGLDVLNNDZHQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.84
Rot. Bonds4

About 4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one

4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one (PubChem CID 79203456) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
PubChem CID79203456
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
SMILESCC(O)CCC(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C13H20N2O2/c1-10(16)6-7-13(17)15-9-3-5-12(15)11-4-2-8-14-11/h2,4,8,10,12,14,16H,3,5-7,9H2,1H3
InChIKeyYHKGLDVLNNDZHQ-UHFFFAOYSA-N
XLogP1.84
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one?
The IUPAC name of 4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one (CID 79203456) is 4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one.
What is the SMILES notation for 4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one?
The canonical SMILES for 4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one is CC(O)CCC(=O)N1CCCC1c1ccc[nH]1.
What is the InChIKey of 4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one?
The InChIKey is YHKGLDVLNNDZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(16)6-7-13(17)15-9-3-5-12(15)11-4-2-8-14-11/h2,4,8,10,12,14,16H,3,5-7,9H2,1H3.
What are the key properties of 4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one?
4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one has a molecular weight of 236.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one is sourced from PubChem (CID 79203456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).