(1-butyl-2,5-dimethylpyrrol-3-yl)methanol

C11H19NO — CID 99715134

IUPAC(1-butyl-2,5-dimethylpyrrol-3-yl)methanol
SMILESCCCCn1c(C)cc(CO)c1C
InChIInChI=1S/C11H19NO/c1-4-5-6-12-9(2)7-11(8-13)10(12)3/h7,13H,4-6,8H2,1-3H3
InChIKeyXBFJHWQXSDJTHD-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.40
Rot. Bonds4

About (1-butyl-2,5-dimethylpyrrol-3-yl)methanol

(1-butyl-2,5-dimethylpyrrol-3-yl)methanol (PubChem CID 99715134) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1-butyl-2,5-dimethylpyrrol-3-yl)methanol.

Molecular Properties

Compound Name(1-butyl-2,5-dimethylpyrrol-3-yl)methanol
PubChem CID99715134
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1-butyl-2,5-dimethylpyrrol-3-yl)methanol
SMILESCCCCn1c(C)cc(CO)c1C
InChIInChI=1S/C11H19NO/c1-4-5-6-12-9(2)7-11(8-13)10(12)3/h7,13H,4-6,8H2,1-3H3
InChIKeyXBFJHWQXSDJTHD-UHFFFAOYSA-N
XLogP2.40
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-2,6-dimethylpyridine-4-thione
CID 5228475
2,5-dimethyl-1-octylpyrrole-3-carboxylic acid
CID 115566466
1-butyl-5-ethyl-3-(hydroxymethyl)-6-propylpyridin-2-one
CID 70951226
1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82520240
4-(1-butyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine
CID 116791225
(Z)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyanoprop-2-enoate
CID 2113262
ethyl 2-amino-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]propanoate
CID 170885860
2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one
CID 82217360
1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one
CID 156776485
1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone
CID 110891953
2,5-dimethyl-1-(3-propoxypropyl)pyrrole-3-carboxylic acid
CID 82950457
6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783629

Frequently Asked Questions

What is the IUPAC name of (1-butyl-2,5-dimethylpyrrol-3-yl)methanol?
The IUPAC name of (1-butyl-2,5-dimethylpyrrol-3-yl)methanol (CID 99715134) is (1-butyl-2,5-dimethylpyrrol-3-yl)methanol.
What is the SMILES notation for (1-butyl-2,5-dimethylpyrrol-3-yl)methanol?
The canonical SMILES for (1-butyl-2,5-dimethylpyrrol-3-yl)methanol is CCCCn1c(C)cc(CO)c1C.
What is the InChIKey of (1-butyl-2,5-dimethylpyrrol-3-yl)methanol?
The InChIKey is XBFJHWQXSDJTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-5-6-12-9(2)7-11(8-13)10(12)3/h7,13H,4-6,8H2,1-3H3.
What are the key properties of (1-butyl-2,5-dimethylpyrrol-3-yl)methanol?
(1-butyl-2,5-dimethylpyrrol-3-yl)methanol has a molecular weight of 181.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-2,5-dimethylpyrrol-3-yl)methanol is sourced from PubChem (CID 99715134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).