2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone

C12H14N2O2 — CID 171976356

IUPAC2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone
SMILESCn1cccc1C(=O)C(O)c1cccn1C
InChIInChI=1S/C12H14N2O2/c1-13-7-3-5-9(13)11(15)12(16)10-6-4-8-14(10)2/h3-8,11,15H,1-2H3
InChIKeyNCPVVSWSMINVGH-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.28
Rot. Bonds3

About 2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone

2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone (PubChem CID 171976356) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone
PubChem CID171976356
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone
SMILESCn1cccc1C(=O)C(O)c1cccn1C
InChIInChI=1S/C12H14N2O2/c1-13-7-3-5-9(13)11(15)12(16)10-6-4-8-14(10)2/h3-8,11,15H,1-2H3
InChIKeyNCPVVSWSMINVGH-UHFFFAOYSA-N
XLogP1.28
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dichloro-1-(1-methylpyrrol-2-yl)ethanone
CID 13217321
2-hydroxy-1-(1-methylpyrrol-2-yl)-2-thiophen-3-ylethanone
CID 10489172
1-methylpyrrole-2-carboxylic acid;hydrochloride
CID 69426436
1-methylpyrrole-2-carbonyl fluoride
CID 119090351
2-hydroxy-2-indol-1-yl-1-(1-methylpyrrol-2-yl)ethanone
CID 138976918
1-methylpyrrole-2-carboxamide;hydrochloride
CID 21428931
methyl (3R)-3-methyl-4-(1-methylpyrrol-2-yl)-2,4-dioxobutanoate
CID 98169172
[hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid
CID 130694036
3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 43208802
(2S)-2-hydroxy-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 107833498
tert-butyl N-[(1S)-2-(1-methylpyrrol-2-yl)-2-oxo-1-phenylethyl]carbamate
CID 134948849
methoxy-(1-methylpyrrol-2-yl)methanol
CID 45087864

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone (CID 171976356) is 2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone is Cn1cccc1C(=O)C(O)c1cccn1C.
What is the InChIKey of 2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone?
The InChIKey is NCPVVSWSMINVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-13-7-3-5-9(13)11(15)12(16)10-6-4-8-14(10)2/h3-8,11,15H,1-2H3.
What are the key properties of 2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone?
2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone has a molecular weight of 218.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 171976356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).