[4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol

C12H24N2O2Si — CID 174096302

IUPAC[4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol
SMILESCc1c(N)cc(CO)n1COCC[Si](C)(C)C
InChIInChI=1S/C12H24N2O2Si/c1-10-12(13)7-11(8-15)14(10)9-16-5-6-17(2,3)4/h7,15H,5-6,8-9,13H2,1-4H3
InChIKeyKFNUHOOYPPWESY-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.18
Rot. Bonds6

About [4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol

[4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol (PubChem CID 174096302) has the molecular formula C12H24N2O2Si and a molecular weight of 256.42 g/mol. Its IUPAC name is [4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol
PubChem CID174096302
Molecular FormulaC12H24N2O2Si
Molecular Weight256.42 g/mol
Exact Mass256.16
IUPAC Name[4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol
SMILESCc1c(N)cc(CO)n1COCC[Si](C)(C)C
InChIInChI=1S/C12H24N2O2Si/c1-10-12(13)7-11(8-15)14(10)9-16-5-6-17(2,3)4/h7,15H,5-6,8-9,13H2,1-4H3
InChIKeyKFNUHOOYPPWESY-UHFFFAOYSA-N
XLogP2.18
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
CID 174068018
ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate
CID 59180122
[6-fluoro-7-(3,3,3-trifluoropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methanol
CID 151739550
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
1-(2-trimethylsilylethoxymethyl)imidazol-4-amine
CID 58367438
[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol
CID 140769621
3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide
CID 86688715
[4-iodo-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol
CID 170617766
[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol
CID 140747707
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
6-chloro-2-(3-chloropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 162354492
2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid
CID 166022930

Frequently Asked Questions

What is the IUPAC name of [4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol?
The IUPAC name of [4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol (CID 174096302) is [4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol.
What is the SMILES notation for [4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol?
The canonical SMILES for [4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol is Cc1c(N)cc(CO)n1COCC[Si](C)(C)C.
What is the InChIKey of [4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol?
The InChIKey is KFNUHOOYPPWESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2Si/c1-10-12(13)7-11(8-15)14(10)9-16-5-6-17(2,3)4/h7,15H,5-6,8-9,13H2,1-4H3.
What are the key properties of [4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol?
[4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol has a molecular weight of 256.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol is sourced from PubChem (CID 174096302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).