1-[10-(2,5-dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol

C18H28N2O4 — CID 54293191

IUPAC1-[10-(2,5-dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1CCCCCCCCCCn1c(O)ccc1O
InChIInChI=1S/C18H28N2O4/c21-15-9-10-16(22)19(15)13-7-5-3-1-2-4-6-8-14-20-17(23)11-12-18(20)24/h9-12,21-24H,1-8,13-14H2
InChIKeyRYYUJTAIEBIMIJ-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.93
Rot. Bonds11

About 1-[10-(2,5-dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol

1-[10-(2,5-dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol (PubChem CID 54293191) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 1-[10-(2,5-dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[10-(2,5-dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol
PubChem CID54293191
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name1-[10-(2,5-dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1CCCCCCCCCCn1c(O)ccc1O
InChIInChI=1S/C18H28N2O4/c21-15-9-10-16(22)19(15)13-7-5-3-1-2-4-6-8-14-20-17(23)11-12-18(20)24/h9-12,21-24H,1-8,13-14H2
InChIKeyRYYUJTAIEBIMIJ-UHFFFAOYSA-N
XLogP3.93
TPSA90.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-nonylpyrrole-2,5-diol
CID 54200108
1-hexylpyrrole-2,5-diol
CID 54126791
1-(4-bromobutyl)pyrrole-2,5-diol
CID 54510028
7-(2,5-dihydroxypyrrol-1-yl)heptan-2-one
CID 91494577
1-undec-10-enylpyrrole-2,5-diol
CID 54078128
5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 54349223
2-[[1-carboxy-15-(2,5-dihydroxypyrrol-1-yl)pentadecyl]disulfanyl]-16-(2,5-dihydroxypyrrol-1-yl)hexadecanoic acid
CID 91162963
1-[3-(2,2,5,5-tetraethyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-diol
CID 91348979
1-[10-hydroxy-11-(octylamino)undecyl]pyrrole-2,5-diol
CID 54266593
1,8-bis(2,5-dihydroxypyrrol-1-yl)octane-2,7-dione
CID 91373414
1-bromo-3-(2,5-dihydroxypyrrol-1-yl)propan-2-one
CID 91159484
2-(2,5-dihydroxypyrrol-1-yl)ethyl ethenyl carbonate
CID 54414784

Frequently Asked Questions

What is the IUPAC name of 1-[10-(2,5-dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol?
The IUPAC name of 1-[10-(2,5-dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol (CID 54293191) is 1-[10-(2,5-dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[10-(2,5-dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[10-(2,5-dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol is Oc1ccc(O)n1CCCCCCCCCCn1c(O)ccc1O.
What is the InChIKey of 1-[10-(2,5-dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol?
The InChIKey is RYYUJTAIEBIMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c21-15-9-10-16(22)19(15)13-7-5-3-1-2-4-6-8-14-20-17(23)11-12-18(20)24/h9-12,21-24H,1-8,13-14H2.
What are the key properties of 1-[10-(2,5-dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol?
1-[10-(2,5-dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol has a molecular weight of 336.43 g/mol, XLogP of 3.93, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(2,5-dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol is sourced from PubChem (CID 54293191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).