(5-butyl-1-ethylpyrrol-2-yl)methanol

C11H19NO — CID 100793109

IUPAC(5-butyl-1-ethylpyrrol-2-yl)methanol
SMILESCCCCc1ccc(CO)n1CC
InChIInChI=1S/C11H19NO/c1-3-5-6-10-7-8-11(9-13)12(10)4-2/h7-8,13H,3-6,9H2,1-2H3
InChIKeyJKUPAUGQMAOIRT-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.34
Rot. Bonds5

About (5-butyl-1-ethylpyrrol-2-yl)methanol

(5-butyl-1-ethylpyrrol-2-yl)methanol (PubChem CID 100793109) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (5-butyl-1-ethylpyrrol-2-yl)methanol.

Molecular Properties

Compound Name(5-butyl-1-ethylpyrrol-2-yl)methanol
PubChem CID100793109
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(5-butyl-1-ethylpyrrol-2-yl)methanol
SMILESCCCCc1ccc(CO)n1CC
InChIInChI=1S/C11H19NO/c1-3-5-6-10-7-8-11(9-13)12(10)4-2/h7-8,13H,3-6,9H2,1-2H3
InChIKeyJKUPAUGQMAOIRT-UHFFFAOYSA-N
XLogP2.34
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]methanol
CID 100792639
(5-ethyl-1-propylpyrrol-2-yl)methanol
CID 100792529
(1-methyl-5-propylpyrrol-2-yl)methanol
CID 100793005
1,5-dibutylpyrrole-2-carbonitrile
CID 100793160
(1-ethyl-3-pentylbenzimidazol-3-ium-2-yl)methanol
CID 87324485
methyl 5-butyl-1-(2-methylpropyl)pyrrole-2-carboxylate
CID 100793133
2-butyl-N,N-dimethylpyrrol-1-amine
CID 14264384
4-[(2-butyl-6-oxo-1-pyridinyl)methyl]benzonitrile
CID 54543964
2-[4-[[6-butyl-3-(hydroxymethyl)-2-oxo-1-pyridinyl]methyl]phenyl]benzonitrile
CID 19012411
5-butyl-1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide
CID 100793217
(6-chloro-1-ethylpyrrolo[2,3-b]pyridin-2-yl)methanol
CID 59471428
(3-ethyl-2-methylimidazol-4-yl)methanol
CID 117193179

Frequently Asked Questions

What is the IUPAC name of (5-butyl-1-ethylpyrrol-2-yl)methanol?
The IUPAC name of (5-butyl-1-ethylpyrrol-2-yl)methanol (CID 100793109) is (5-butyl-1-ethylpyrrol-2-yl)methanol.
What is the SMILES notation for (5-butyl-1-ethylpyrrol-2-yl)methanol?
The canonical SMILES for (5-butyl-1-ethylpyrrol-2-yl)methanol is CCCCc1ccc(CO)n1CC.
What is the InChIKey of (5-butyl-1-ethylpyrrol-2-yl)methanol?
The InChIKey is JKUPAUGQMAOIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-6-10-7-8-11(9-13)12(10)4-2/h7-8,13H,3-6,9H2,1-2H3.
What are the key properties of (5-butyl-1-ethylpyrrol-2-yl)methanol?
(5-butyl-1-ethylpyrrol-2-yl)methanol has a molecular weight of 181.28 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-1-ethylpyrrol-2-yl)methanol is sourced from PubChem (CID 100793109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).