1-(12-aminododecyl)pyrrole-2,5-diol

C16H30N2O2 — CID 54276979

IUPAC1-(12-aminododecyl)pyrrole-2,5-diol
SMILESNCCCCCCCCCCCCn1c(O)ccc1O
InChIInChI=1S/C16H30N2O2/c17-13-9-7-5-3-1-2-4-6-8-10-14-18-15(19)11-12-16(18)20/h11-12,19-20H,1-10,13-14,17H2
InChIKeyROBWOEJEHRYNDE-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.76
Rot. Bonds12

About 1-(12-aminododecyl)pyrrole-2,5-diol

1-(12-aminododecyl)pyrrole-2,5-diol (PubChem CID 54276979) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(12-aminododecyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(12-aminododecyl)pyrrole-2,5-diol
PubChem CID54276979
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(12-aminododecyl)pyrrole-2,5-diol
SMILESNCCCCCCCCCCCCn1c(O)ccc1O
InChIInChI=1S/C16H30N2O2/c17-13-9-7-5-3-1-2-4-6-8-10-14-18-15(19)11-12-16(18)20/h11-12,19-20H,1-10,13-14,17H2
InChIKeyROBWOEJEHRYNDE-UHFFFAOYSA-N
XLogP3.76
TPSA71.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methylpyrrole-2,5-diol
CID 21326740
1-(Hydroxymethyl)pyrrole-2,5-diol
CID 54060161
1-Ethylpyrrole-2,5-diol
CID 54068298
1-Pentylpyrrole-2,5-diol
CID 54382624
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-[(Dicyclohexylamino)methyl]pyrrole-2,5-diol
CID 90710890
5-Fluoro-1-(4-hydroxyhexyl)pyrrol-2-ol
CID 144520352
1-(Piperidin-4-ylmethyl)pyrrole-2,5-diol
CID 53633036
1-(5-Decan-5-ylsulfanylpentyl)pyrrole-2,5-diol
CID 53633843
3-(2,5-Dihydroxypyrrol-1-yl)propyl-ethyl-dimethylazanium
CID 53638599
1-[8-(2,5-Dihydroxypyrrol-1-yl)octyl]pyrrole-2,5-diol
CID 53654444

Frequently Asked Questions

What is the IUPAC name of 1-(12-aminododecyl)pyrrole-2,5-diol?
The IUPAC name of 1-(12-aminododecyl)pyrrole-2,5-diol (CID 54276979) is 1-(12-aminododecyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(12-aminododecyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(12-aminododecyl)pyrrole-2,5-diol is NCCCCCCCCCCCCn1c(O)ccc1O.
What is the InChIKey of 1-(12-aminododecyl)pyrrole-2,5-diol?
The InChIKey is ROBWOEJEHRYNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c17-13-9-7-5-3-1-2-4-6-8-10-14-18-15(19)11-12-16(18)20/h11-12,19-20H,1-10,13-14,17H2.
What are the key properties of 1-(12-aminododecyl)pyrrole-2,5-diol?
1-(12-aminododecyl)pyrrole-2,5-diol has a molecular weight of 282.43 g/mol, XLogP of 3.76, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(12-aminododecyl)pyrrole-2,5-diol is sourced from PubChem (CID 54276979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).