3-(2,5-dihydroxy-2,5-dihydropyrrol-1-yl)propanamide

C7H12N2O3 — CID 163422874

IUPAC3-(2,5-dihydroxy-2,5-dihydropyrrol-1-yl)propanamide
SMILESNC(=O)CCN1C(O)C=CC1O
InChIInChI=1S/C7H12N2O3/c8-5(10)3-4-9-6(11)1-2-7(9)12/h1-2,6-7,11-12H,3-4H2,(H2,8,10)
InChIKeyAJYRDYQDOQBWTB-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.63
Rot. Bonds3

About 3-(2,5-dihydroxy-2,5-dihydropyrrol-1-yl)propanamide

3-(2,5-dihydroxy-2,5-dihydropyrrol-1-yl)propanamide (PubChem CID 163422874) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 3-(2,5-dihydroxy-2,5-dihydropyrrol-1-yl)propanamide.

Molecular Properties

Compound Name3-(2,5-dihydroxy-2,5-dihydropyrrol-1-yl)propanamide
PubChem CID163422874
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name3-(2,5-dihydroxy-2,5-dihydropyrrol-1-yl)propanamide
SMILESNC(=O)CCN1C(O)C=CC1O
InChIInChI=1S/C7H12N2O3/c8-5(10)3-4-9-6(11)1-2-7(9)12/h1-2,6-7,11-12H,3-4H2,(H2,8,10)
InChIKeyAJYRDYQDOQBWTB-UHFFFAOYSA-N
XLogP-1.63
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxy-2,5-dihydropyrrol-1-yl)propanamide?
The IUPAC name of 3-(2,5-dihydroxy-2,5-dihydropyrrol-1-yl)propanamide (CID 163422874) is 3-(2,5-dihydroxy-2,5-dihydropyrrol-1-yl)propanamide.
What is the SMILES notation for 3-(2,5-dihydroxy-2,5-dihydropyrrol-1-yl)propanamide?
The canonical SMILES for 3-(2,5-dihydroxy-2,5-dihydropyrrol-1-yl)propanamide is NC(=O)CCN1C(O)C=CC1O.
What is the InChIKey of 3-(2,5-dihydroxy-2,5-dihydropyrrol-1-yl)propanamide?
The InChIKey is AJYRDYQDOQBWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c8-5(10)3-4-9-6(11)1-2-7(9)12/h1-2,6-7,11-12H,3-4H2,(H2,8,10).
What are the key properties of 3-(2,5-dihydroxy-2,5-dihydropyrrol-1-yl)propanamide?
3-(2,5-dihydroxy-2,5-dihydropyrrol-1-yl)propanamide has a molecular weight of 172.18 g/mol, XLogP of -1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxy-2,5-dihydropyrrol-1-yl)propanamide is sourced from PubChem (CID 163422874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).