4-(2,5-dihydroxypyrrol-1-yl)cyclohexane-1-carbaldehyde

C11H15NO3 — CID 90771562

IUPAC4-(2,5-dihydroxypyrrol-1-yl)cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(n2c(O)ccc2O)CC1
InChIInChI=1S/C11H15NO3/c13-7-8-1-3-9(4-2-8)12-10(14)5-6-11(12)15/h5-9,14-15H,1-4H2
InChIKeyJNNMKSMYYNTCAC-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.83
Rot. Bonds2

About 4-(2,5-dihydroxypyrrol-1-yl)cyclohexane-1-carbaldehyde

4-(2,5-dihydroxypyrrol-1-yl)cyclohexane-1-carbaldehyde (PubChem CID 90771562) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 4-(2,5-dihydroxypyrrol-1-yl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-(2,5-dihydroxypyrrol-1-yl)cyclohexane-1-carbaldehyde
PubChem CID90771562
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name4-(2,5-dihydroxypyrrol-1-yl)cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(n2c(O)ccc2O)CC1
InChIInChI=1S/C11H15NO3/c13-7-8-1-3-9(4-2-8)12-10(14)5-6-11(12)15/h5-9,14-15H,1-4H2
InChIKeyJNNMKSMYYNTCAC-UHFFFAOYSA-N
XLogP1.83
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-Dihydroxypyrrol-1-yl)-3-methylhexane-2,5-dione
CID 53780640
2-(2,5-Dihydroxypyrrol-1-yl)hexanedial
CID 53782754
4-[(2,5-Dihydroxypyrrol-1-yl)methyl]cyclohexane-1-carbaldehyde
CID 53862832
4-[(2,5-Dihydroxypyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 53921834
2-(2,5-Dihydroxypyrrol-1-yl)octanedial
CID 53952972
6-(2,5-Dihydroxypyrrol-1-yl)hexanal
CID 54155419
1-[4-(2,5-Dihydroxy-3-methylpyrrol-1-yl)cyclohexyl]ethanone
CID 54385143
5-(2,5-Dihydroxypyrrol-1-yl)-2-ethyl-4-oxopentanal
CID 54536027
1-(1-Cyclohexylbut-3-ynyl)pyrrole-2,5-diol
CID 57311710
1-[4-[(2,5-Dihydroxy-3-methylpyrrol-1-yl)methyl]cyclohexyl]ethanone
CID 90976462
4-[(2,5-dihydroxy-3-methylpyrrol-1-yl)methyl]cyclohexane-1-carbothioic S-acid
CID 123755350
1-(2,5-Dihydroxypyrrol-1-yl)-2-methylcyclohexane-1-carbaldehyde
CID 123817939

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydroxypyrrol-1-yl)cyclohexane-1-carbaldehyde?
The IUPAC name of 4-(2,5-dihydroxypyrrol-1-yl)cyclohexane-1-carbaldehyde (CID 90771562) is 4-(2,5-dihydroxypyrrol-1-yl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-(2,5-dihydroxypyrrol-1-yl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-(2,5-dihydroxypyrrol-1-yl)cyclohexane-1-carbaldehyde is O=CC1CCC(n2c(O)ccc2O)CC1.
What is the InChIKey of 4-(2,5-dihydroxypyrrol-1-yl)cyclohexane-1-carbaldehyde?
The InChIKey is JNNMKSMYYNTCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-7-8-1-3-9(4-2-8)12-10(14)5-6-11(12)15/h5-9,14-15H,1-4H2.
What are the key properties of 4-(2,5-dihydroxypyrrol-1-yl)cyclohexane-1-carbaldehyde?
4-(2,5-dihydroxypyrrol-1-yl)cyclohexane-1-carbaldehyde has a molecular weight of 209.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydroxypyrrol-1-yl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 90771562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).