1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol

C10H17NO2 — CID 79109993

IUPAC1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(COC)c1
InChIInChI=1S/C10H17NO2/c1-3-4-10(12)9-5-6-11(7-9)8-13-2/h5-7,10,12H,3-4,8H2,1-2H3
InChIKeySJMVIXXFUWSELO-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.93
Rot. Bonds5

About 1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol

1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol (PubChem CID 79109993) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol
PubChem CID79109993
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(COC)c1
InChIInChI=1S/C10H17NO2/c1-3-4-10(12)9-5-6-11(7-9)8-13-2/h5-7,10,12H,3-4,8H2,1-2H3
InChIKeySJMVIXXFUWSELO-UHFFFAOYSA-N
XLogP1.93
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine
CID 79107829
1-(1-but-2-enylpyrrol-3-yl)butan-1-ol
CID 79109051
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109053
5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol
CID 79109219
N-(cyanomethyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide
CID 79108060
1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]butan-1-ol
CID 114526149
1-(1-pent-3-ynylpyrrol-3-yl)butan-1-ol
CID 104809209
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109391
2-[2-[3-(1-hydroxybutyl)pyrrol-1-yl]ethoxy]propanenitrile
CID 114266638
1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol
CID 79110104
1-[1-[(2-bromophenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79108230
1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109675

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol?
The IUPAC name of 1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol (CID 79109993) is 1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol?
The canonical SMILES for 1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol is CCCC(O)c1ccn(COC)c1.
What is the InChIKey of 1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol?
The InChIKey is SJMVIXXFUWSELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-10(12)9-5-6-11(7-9)8-13-2/h5-7,10,12H,3-4,8H2,1-2H3.
What are the key properties of 1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol?
1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol is sourced from PubChem (CID 79109993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).