N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide

C10H14N2O3 — CID 54146652

IUPACN-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCn1c(O)ccc1O
InChIInChI=1S/C10H14N2O3/c1-7(2)10(15)11-5-6-12-8(13)3-4-9(12)14/h3-4,13-14H,1,5-6H2,2H3,(H,11,15)
InChIKeyOEWAMSBTPUSCLW-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.59
Rot. Bonds4

About N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide

N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide (PubChem CID 54146652) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide
PubChem CID54146652
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC NameN-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCn1c(O)ccc1O
InChIInChI=1S/C10H14N2O3/c1-7(2)10(15)11-5-6-12-8(13)3-4-9(12)14/h3-4,13-14H,1,5-6H2,2H3,(H,11,15)
InChIKeyOEWAMSBTPUSCLW-UHFFFAOYSA-N
XLogP0.59
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[2-(2-Aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol
CID 123225679
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
2-Amino-1-(2,5-dihydroxypyrrol-1-yl)ethanone
CID 53766548
2-(2,5-Dihydroxypyrrol-1-yl)acetamide
CID 53860573
1-(2-Aminoethyl)pyrrole-2,5-diol
CID 53867567
6-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 54034188
3-(2,5-Dihydroxypyrrol-1-yl)pyrrolidin-2-one
CID 54111603
N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide
CID 54131664
(2,5-Dihydroxypyrrol-1-yl) 3-(2-methylprop-2-enoylamino)propanoate
CID 54156035
2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide
CID 54252739
1-[4-(2,5-Dihydroxypyrrol-1-yl)-4-oxobutyl]pyrrole-2,5-dione
CID 54327029

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide (CID 54146652) is N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCn1c(O)ccc1O.
What is the InChIKey of N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide?
The InChIKey is OEWAMSBTPUSCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(2)10(15)11-5-6-12-8(13)3-4-9(12)14/h3-4,13-14H,1,5-6H2,2H3,(H,11,15).
What are the key properties of N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide?
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide has a molecular weight of 210.23 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 54146652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).