6-(2,5-dihydroxypyrrol-1-yl)hexanal

C10H15NO3 — CID 54155419

IUPAC6-(2,5-dihydroxypyrrol-1-yl)hexanal
SMILESO=CCCCCCn1c(O)ccc1O
InChIInChI=1S/C10H15NO3/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14/h5-6,8,13-14H,1-4,7H2
InChIKeyBNLPOBWEICWGPV-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.66
Rot. Bonds6

About 6-(2,5-dihydroxypyrrol-1-yl)hexanal

6-(2,5-dihydroxypyrrol-1-yl)hexanal (PubChem CID 54155419) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 6-(2,5-dihydroxypyrrol-1-yl)hexanal.

Molecular Properties

Compound Name6-(2,5-dihydroxypyrrol-1-yl)hexanal
PubChem CID54155419
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name6-(2,5-dihydroxypyrrol-1-yl)hexanal
SMILESO=CCCCCCn1c(O)ccc1O
InChIInChI=1S/C10H15NO3/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14/h5-6,8,13-14H,1-4,7H2
InChIKeyBNLPOBWEICWGPV-UHFFFAOYSA-N
XLogP1.66
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methylpyrrole-2,5-diol
CID 21326740
3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
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
1-(3,4,4-Trifluorobut-3-enyl)pyrrole-2,5-diol
CID 53856482
11-(2,5-Dihydroxypyrrol-1-yl)undec-10-enoic acid
CID 91288827
Decyl 6-(2,5-dihydroxypyrrol-1-yl)hexanoate
CID 123756625
Undecyl 6-(2,5-dihydroxypyrrol-1-yl)hexanoate
CID 123941449
5-Fluoro-1-(4-hydroxyhexyl)pyrrol-2-ol
CID 144520352
3-(2,5-Dihydroxypyrrol-1-yl)propyl-ethyl-dimethylazanium
CID 53638599

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dihydroxypyrrol-1-yl)hexanal?
The IUPAC name of 6-(2,5-dihydroxypyrrol-1-yl)hexanal (CID 54155419) is 6-(2,5-dihydroxypyrrol-1-yl)hexanal.
What is the SMILES notation for 6-(2,5-dihydroxypyrrol-1-yl)hexanal?
The canonical SMILES for 6-(2,5-dihydroxypyrrol-1-yl)hexanal is O=CCCCCCn1c(O)ccc1O.
What is the InChIKey of 6-(2,5-dihydroxypyrrol-1-yl)hexanal?
The InChIKey is BNLPOBWEICWGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14/h5-6,8,13-14H,1-4,7H2.
What are the key properties of 6-(2,5-dihydroxypyrrol-1-yl)hexanal?
6-(2,5-dihydroxypyrrol-1-yl)hexanal has a molecular weight of 197.23 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dihydroxypyrrol-1-yl)hexanal is sourced from PubChem (CID 54155419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).