3-methyl-1-nonylpyrrole-2,5-diol

C14H25NO2 — CID 54259677

IUPAC3-methyl-1-nonylpyrrole-2,5-diol
SMILESCCCCCCCCCn1c(O)cc(C)c1O
InChIInChI=1S/C14H25NO2/c1-3-4-5-6-7-8-9-10-15-13(16)11-12(2)14(15)17/h11,16-17H,3-10H2,1-2H3
InChIKeyRCPJRGJDPRCQDP-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.96
Rot. Bonds8

About 3-methyl-1-nonylpyrrole-2,5-diol

3-methyl-1-nonylpyrrole-2,5-diol (PubChem CID 54259677) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methyl-1-nonylpyrrole-2,5-diol.

Molecular Properties

Compound Name3-methyl-1-nonylpyrrole-2,5-diol
PubChem CID54259677
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-methyl-1-nonylpyrrole-2,5-diol
SMILESCCCCCCCCCn1c(O)cc(C)c1O
InChIInChI=1S/C14H25NO2/c1-3-4-5-6-7-8-9-10-15-13(16)11-12(2)14(15)17/h11,16-17H,3-10H2,1-2H3
InChIKeyRCPJRGJDPRCQDP-UHFFFAOYSA-N
XLogP3.96
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-Ethylpyrrole-2,5-diol
CID 54068298
1-Pentylpyrrole-2,5-diol
CID 54382624
10-(2,5-Dihydroxypyrrol-1-yl)undec-2-enoic acid
CID 90702857
3-Ethenyl-1-ethylpyrrole-2,5-diol
CID 91470205
1-(3,4,4-Trifluorobut-3-enyl)pyrrole-2,5-diol
CID 53856482
3-Ethenyl-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)pyrrole-2,5-diol
CID 123481878
3-ethenyl-1-(114C)ethylpyrrole-2,5-diol
CID 90781057
5-Fluoro-1-(4-hydroxyhexyl)pyrrol-2-ol
CID 144520352
1,4-Dimethylpyrrol-2-ol
CID 21702812
1,3-Dimethylpyrrol-2-ol
CID 21702831
1-(5-Decan-5-ylsulfanylpentyl)pyrrole-2,5-diol
CID 53633843

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-nonylpyrrole-2,5-diol?
The IUPAC name of 3-methyl-1-nonylpyrrole-2,5-diol (CID 54259677) is 3-methyl-1-nonylpyrrole-2,5-diol.
What is the SMILES notation for 3-methyl-1-nonylpyrrole-2,5-diol?
The canonical SMILES for 3-methyl-1-nonylpyrrole-2,5-diol is CCCCCCCCCn1c(O)cc(C)c1O.
What is the InChIKey of 3-methyl-1-nonylpyrrole-2,5-diol?
The InChIKey is RCPJRGJDPRCQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-4-5-6-7-8-9-10-15-13(16)11-12(2)14(15)17/h11,16-17H,3-10H2,1-2H3.
What are the key properties of 3-methyl-1-nonylpyrrole-2,5-diol?
3-methyl-1-nonylpyrrole-2,5-diol has a molecular weight of 239.36 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-nonylpyrrole-2,5-diol is sourced from PubChem (CID 54259677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).