1-[2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]ethyl]pyridin-2-one

C15H20N2O2 — CID 82907186

IUPAC1-[2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]ethyl]pyridin-2-one
SMILESCC(C)C(O)c1ccn(CCn2ccccc2=O)c1
InChIInChI=1S/C15H20N2O2/c1-12(2)15(19)13-6-8-16(11-13)9-10-17-7-4-3-5-14(17)18/h3-8,11-12,15,19H,9-10H2,1-2H3
InChIKeyUTKDTGXKQVOBJR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.04
Rot. Bonds5

About 1-[2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]ethyl]pyridin-2-one

1-[2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]ethyl]pyridin-2-one (PubChem CID 82907186) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]ethyl]pyridin-2-one
PubChem CID82907186
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]ethyl]pyridin-2-one
SMILESCC(C)C(O)c1ccn(CCn2ccccc2=O)c1
InChIInChI=1S/C15H20N2O2/c1-12(2)15(19)13-6-8-16(11-13)9-10-17-7-4-3-5-14(17)18/h3-8,11-12,15,19H,9-10H2,1-2H3
InChIKeyUTKDTGXKQVOBJR-UHFFFAOYSA-N
XLogP2.04
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethyl]pyridin-2-one
CID 82899275
2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol
CID 83158832
1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one
CID 82899373
1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one
CID 82907033
2-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-ol
CID 79098041
2-methyl-1-[1-[2-(4-nitrophenyl)ethyl]pyrrol-3-yl]propan-1-ol
CID 79109705
2-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 107045442
1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097426
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 109381038
1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea
CID 111338596
1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one
CID 82897398
1-[3-(2-methylpropylamino)propyl]pyridin-2-one
CID 62564337

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]ethyl]pyridin-2-one (CID 82907186) is 1-[2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]ethyl]pyridin-2-one is CC(C)C(O)c1ccn(CCn2ccccc2=O)c1.
What is the InChIKey of 1-[2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]ethyl]pyridin-2-one?
The InChIKey is UTKDTGXKQVOBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12(2)15(19)13-6-8-16(11-13)9-10-17-7-4-3-5-14(17)18/h3-8,11-12,15,19H,9-10H2,1-2H3.
What are the key properties of 1-[2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]ethyl]pyridin-2-one?
1-[2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]ethyl]pyridin-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82907186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).