1-(3-aminopropyl)pyrrole-2,5-diol

C7H12N2O2 — CID 91145432

IUPAC1-(3-aminopropyl)pyrrole-2,5-diol
SMILESNCCCn1c(O)ccc1O
InChIInChI=1S/C7H12N2O2/c8-4-1-5-9-6(10)2-3-7(9)11/h2-3,10-11H,1,4-5,8H2
InChIKeySHXPYCNUVXEBNT-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.25
Rot. Bonds3

About 1-(3-aminopropyl)pyrrole-2,5-diol

1-(3-aminopropyl)pyrrole-2,5-diol (PubChem CID 91145432) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-(3-aminopropyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(3-aminopropyl)pyrrole-2,5-diol
PubChem CID91145432
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-(3-aminopropyl)pyrrole-2,5-diol
SMILESNCCCn1c(O)ccc1O
InChIInChI=1S/C7H12N2O2/c8-4-1-5-9-6(10)2-3-7(9)11/h2-3,10-11H,1,4-5,8H2
InChIKeySHXPYCNUVXEBNT-UHFFFAOYSA-N
XLogP0.25
TPSA71.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-1H-pyrrol-2-ol
CID 13795008
1-Methylpyrrole-2,5-diol
CID 21326740
1H-pyrrole-2,5-diol
CID 53710320
3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
1-Iodopyrrole-2,5-diol
CID 53748320
1-Chloropyrrole-2,5-diol
CID 53783263
1-Hydroxypyrrole-2,5-diol
CID 53887891
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
(2,5-Dihydroxypyrrol-1-yl) thiocyanate
CID 91264717

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)pyrrole-2,5-diol?
The IUPAC name of 1-(3-aminopropyl)pyrrole-2,5-diol (CID 91145432) is 1-(3-aminopropyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(3-aminopropyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(3-aminopropyl)pyrrole-2,5-diol is NCCCn1c(O)ccc1O.
What is the InChIKey of 1-(3-aminopropyl)pyrrole-2,5-diol?
The InChIKey is SHXPYCNUVXEBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c8-4-1-5-9-6(10)2-3-7(9)11/h2-3,10-11H,1,4-5,8H2.
What are the key properties of 1-(3-aminopropyl)pyrrole-2,5-diol?
1-(3-aminopropyl)pyrrole-2,5-diol has a molecular weight of 156.19 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)pyrrole-2,5-diol is sourced from PubChem (CID 91145432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).