2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide

C13H16N2O2 — CID 102912783

IUPAC2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc2cc(CO)ccc21
InChIInChI=1S/C13H16N2O2/c1-14(2)13(17)8-15-6-5-11-7-10(9-16)3-4-12(11)15/h3-7,16H,8-9H2,1-2H3
InChIKeyBQHBEBLNGDVDBL-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.22
Rot. Bonds3

About 2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide

2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide (PubChem CID 102912783) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide
PubChem CID102912783
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc2cc(CO)ccc21
InChIInChI=1S/C13H16N2O2/c1-14(2)13(17)8-15-6-5-11-7-10(9-16)3-4-12(11)15/h3-7,16H,8-9H2,1-2H3
InChIKeyBQHBEBLNGDVDBL-UHFFFAOYSA-N
XLogP1.22
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
CID 116623166
2-(5-aminoindol-1-yl)-N,N-dimethylacetamide
CID 43165387
[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol
CID 102912856
3-[5-(aminomethyl)indol-1-yl]-N,N-dimethylpropanamide
CID 102915506
N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide
CID 102912501
N,N-dimethyl-2-(6-methylindol-1-yl)acetamide
CID 116546688
(1-butylindol-5-yl)methanol
CID 102912394
[1-[(4-ethylphenyl)methyl]indol-5-yl]methanol
CID 102912425
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzoic acid
CID 102912731
3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol
CID 102912449
[1-[(E)-but-2-enyl]indol-5-yl]methanol
CID 102912660
[1-(4-methoxybutyl)indol-5-yl]methanol
CID 102912647

Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide (CID 102912783) is 2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1ccc2cc(CO)ccc21.
What is the InChIKey of 2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide?
The InChIKey is BQHBEBLNGDVDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-14(2)13(17)8-15-6-5-11-7-10(9-16)3-4-12(11)15/h3-7,16H,8-9H2,1-2H3.
What are the key properties of 2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide?
2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide has a molecular weight of 232.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 102912783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).