1-(aminomethyl)-2,5-dihydropyrrole-2,5-diol

C5H10N2O2 — CID 91250484

IUPAC1-(aminomethyl)-2,5-dihydropyrrole-2,5-diol
SMILESNCN1C(O)C=CC1O
InChIInChI=1S/C5H10N2O2/c6-3-7-4(8)1-2-5(7)9/h1-2,4-5,8-9H,3,6H2
InChIKeyTYYZBOMNXMPRBZ-UHFFFAOYSA-N
MW130.15 g/mol
LogP-1.59
Rot. Bonds1

About 1-(aminomethyl)-2,5-dihydropyrrole-2,5-diol

1-(aminomethyl)-2,5-dihydropyrrole-2,5-diol (PubChem CID 91250484) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 1-(aminomethyl)-2,5-dihydropyrrole-2,5-diol.

Molecular Properties

Compound Name1-(aminomethyl)-2,5-dihydropyrrole-2,5-diol
PubChem CID91250484
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name1-(aminomethyl)-2,5-dihydropyrrole-2,5-diol
SMILESNCN1C(O)C=CC1O
InChIInChI=1S/C5H10N2O2/c6-3-7-4(8)1-2-5(7)9/h1-2,4-5,8-9H,3,6H2
InChIKeyTYYZBOMNXMPRBZ-UHFFFAOYSA-N
XLogP-1.59
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.59
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 1-(aminomethyl)-2,5-dihydropyrrole-2,5-diol?
The IUPAC name of 1-(aminomethyl)-2,5-dihydropyrrole-2,5-diol (CID 91250484) is 1-(aminomethyl)-2,5-dihydropyrrole-2,5-diol.
What is the SMILES notation for 1-(aminomethyl)-2,5-dihydropyrrole-2,5-diol?
The canonical SMILES for 1-(aminomethyl)-2,5-dihydropyrrole-2,5-diol is NCN1C(O)C=CC1O.
What is the InChIKey of 1-(aminomethyl)-2,5-dihydropyrrole-2,5-diol?
The InChIKey is TYYZBOMNXMPRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c6-3-7-4(8)1-2-5(7)9/h1-2,4-5,8-9H,3,6H2.
What are the key properties of 1-(aminomethyl)-2,5-dihydropyrrole-2,5-diol?
1-(aminomethyl)-2,5-dihydropyrrole-2,5-diol has a molecular weight of 130.15 g/mol, XLogP of -1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2,5-dihydropyrrole-2,5-diol is sourced from PubChem (CID 91250484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).