2-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide

C7H10N2O3 — CID 123926002

IUPAC2-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(O)ccc1O
InChIInChI=1S/C7H10N2O3/c1-8-5(10)4-9-6(11)2-3-7(9)12/h2-3,11-12H,4H2,1H3,(H,8,10)
InChIKeyRMPIABUQBMWIMJ-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.35
Rot. Bonds2

About 2-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide

2-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide (PubChem CID 123926002) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide
PubChem CID123926002
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(O)ccc1O
InChIInChI=1S/C7H10N2O3/c1-8-5(10)4-9-6(11)2-3-7(9)12/h2-3,11-12H,4H2,1H3,(H,8,10)
InChIKeyRMPIABUQBMWIMJ-UHFFFAOYSA-N
XLogP-0.35
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methylpyrrole-2,5-diol
CID 21326740
1-(2,5-Dihydroxypyrrol-1-yl)propan-1-one
CID 53632841
1-Ethylpyrrole-2,5-diol
CID 54068298
1-(2,5-Dihydroxypyrrol-1-yl)ethanone
CID 54531133
1-[2-[2-[2-(2-Aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol
CID 123225679
3-(2,5-Dihydroxypyrrol-1-yl)propyl-ethyl-dimethylazanium
CID 53638599
3-(2,5-Dihydroxypyrrol-1-yl)pyrrole-2,5-dione
CID 53646356
4-(2,5-Dihydroxypyrrol-1-yl)butan-2-one
CID 53647783
3-Methyl-1-[2-(methylamino)ethyl]pyrrole-2,5-diol
CID 53700085
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]prop-2-enamide
CID 53737679
1-[2-(2,5-Dihydroxypyrrol-1-yl)acetyl]aziridine-2-carbonitrile
CID 53738860
2-Amino-1-(2,5-dihydroxypyrrol-1-yl)ethanone
CID 53766548

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide (CID 123926002) is 2-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide is CNC(=O)Cn1c(O)ccc1O.
What is the InChIKey of 2-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide?
The InChIKey is RMPIABUQBMWIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-8-5(10)4-9-6(11)2-3-7(9)12/h2-3,11-12H,4H2,1H3,(H,8,10).
What are the key properties of 2-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide?
2-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide has a molecular weight of 170.17 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide is sourced from PubChem (CID 123926002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).