3-(2,5-dihydroxypyrrol-1-yl)propanamide

C7H10N2O3 — CID 54572257

IUPAC3-(2,5-dihydroxypyrrol-1-yl)propanamide
SMILESNC(=O)CCn1c(O)ccc1O
InChIInChI=1S/C7H10N2O3/c8-5(10)3-4-9-6(11)1-2-7(9)12/h1-2,11-12H,3-4H2,(H2,8,10)
InChIKeyZYDKAFCHRANEMH-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.23
Rot. Bonds3

About 3-(2,5-dihydroxypyrrol-1-yl)propanamide

3-(2,5-dihydroxypyrrol-1-yl)propanamide (PubChem CID 54572257) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-(2,5-dihydroxypyrrol-1-yl)propanamide.

Molecular Properties

Compound Name3-(2,5-dihydroxypyrrol-1-yl)propanamide
PubChem CID54572257
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name3-(2,5-dihydroxypyrrol-1-yl)propanamide
SMILESNC(=O)CCn1c(O)ccc1O
InChIInChI=1S/C7H10N2O3/c8-5(10)3-4-9-6(11)1-2-7(9)12/h1-2,11-12H,3-4H2,(H2,8,10)
InChIKeyZYDKAFCHRANEMH-UHFFFAOYSA-N
XLogP-0.23
TPSA88.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.23
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
3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
1-(Hydroxymethyl)pyrrole-2,5-diol
CID 54060161
1-Ethylpyrrole-2,5-diol
CID 54068298
2,5-Dihydroxypyrrole-1-carbaldehyde
CID 54249812
1-Pentylpyrrole-2,5-diol
CID 54382624
1-(2,5-Dihydroxypyrrol-1-yl)ethanone
CID 54531133
2-Bromo-3-(2,5-dihydroxypyrrol-1-yl)propanoic acid
CID 91471577
1-[2-[2-[2-(2-Aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol
CID 123225679
1-(3,4,4-Trifluorobut-3-enyl)pyrrole-2,5-diol
CID 53856482
1-(2,5-Dihydroxypyrrol-1-yl)-2,2,2-trifluoroethanone
CID 54277587

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)propanamide?
The IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)propanamide (CID 54572257) is 3-(2,5-dihydroxypyrrol-1-yl)propanamide.
What is the SMILES notation for 3-(2,5-dihydroxypyrrol-1-yl)propanamide?
The canonical SMILES for 3-(2,5-dihydroxypyrrol-1-yl)propanamide is NC(=O)CCn1c(O)ccc1O.
What is the InChIKey of 3-(2,5-dihydroxypyrrol-1-yl)propanamide?
The InChIKey is ZYDKAFCHRANEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c8-5(10)3-4-9-6(11)1-2-7(9)12/h1-2,11-12H,3-4H2,(H2,8,10).
What are the key properties of 3-(2,5-dihydroxypyrrol-1-yl)propanamide?
3-(2,5-dihydroxypyrrol-1-yl)propanamide has a molecular weight of 170.17 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxypyrrol-1-yl)propanamide is sourced from PubChem (CID 54572257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).