6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one

C17H26N2O2 — CID 154735172

IUPAC6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one
SMILESCCC(O)CCCCC(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C17H26N2O2/c1-2-15(20)8-3-4-10-17(21)19-12-6-9-16(19)14-7-5-11-18-13-14/h5,7,11,13,15-16,20H,2-4,6,8-10,12H2,1H3
InChIKeyNVHSWPFVLXRSOI-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.08
Rot. Bonds7

About 6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one

6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one (PubChem CID 154735172) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one.

Molecular Properties

Compound Name6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one
PubChem CID154735172
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one
SMILESCCC(O)CCCCC(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C17H26N2O2/c1-2-15(20)8-3-4-10-17(21)19-12-6-9-16(19)14-7-5-11-18-13-14/h5,7,11,13,15-16,20H,2-4,6,8-10,12H2,1H3
InChIKeyNVHSWPFVLXRSOI-UHFFFAOYSA-N
XLogP3.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 14233094
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466
4-(propan-2-ylamino)-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 60850960
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
2-bromo-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 55125872
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 65290350
3-oxo-3-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]propanenitrile
CID 129491996
3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propanenitrile
CID 121204678
5-(dithiolan-3-yl)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 102564574
2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid
CID 65302628

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one?
The IUPAC name of 6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one (CID 154735172) is 6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one.
What is the SMILES notation for 6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one?
The canonical SMILES for 6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one is CCC(O)CCCCC(=O)N1CCCC1c1cccnc1.
What is the InChIKey of 6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one?
The InChIKey is NVHSWPFVLXRSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-15(20)8-3-4-10-17(21)19-12-6-9-16(19)14-7-5-11-18-13-14/h5,7,11,13,15-16,20H,2-4,6,8-10,12H2,1H3.
What are the key properties of 6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one?
6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one has a molecular weight of 290.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one is sourced from PubChem (CID 154735172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).