tert-butyl formate;1-(1H-indol-5-yl)ethanone

C15H19NO3 — CID 174513916

IUPACtert-butyl formate;1-(1H-indol-5-yl)ethanone
SMILESCC(=O)c1ccc2[nH]ccc2c1.CC(C)(C)OC=O
InChIInChI=1S/C10H9NO.C5H10O2/c1-7(12)8-2-3-10-9(6-8)4-5-11-10;1-5(2,3)7-4-6/h2-6,11H,1H3;4H,1-3H3
InChIKeyNLTWWOJVRKWCCA-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.33
Rot. Bonds2

About tert-butyl formate;1-(1H-indol-5-yl)ethanone

tert-butyl formate;1-(1H-indol-5-yl)ethanone (PubChem CID 174513916) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl formate;1-(1H-indol-5-yl)ethanone.

Molecular Properties

Compound Nametert-butyl formate;1-(1H-indol-5-yl)ethanone
PubChem CID174513916
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nametert-butyl formate;1-(1H-indol-5-yl)ethanone
SMILESCC(=O)c1ccc2[nH]ccc2c1.CC(C)(C)OC=O
InChIInChI=1S/C10H9NO.C5H10O2/c1-7(12)8-2-3-10-9(6-8)4-5-11-10;1-5(2,3)7-4-6/h2-6,11H,1H3;4H,1-3H3
InChIKeyNLTWWOJVRKWCCA-UHFFFAOYSA-N
XLogP3.33
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl formate;5-iodo-1H-indole
CID 174574290
tert-butyl formate;5-nitro-1H-indole
CID 175288118
1-[4-(1H-indol-5-yl)phenyl]ethanone
CID 82039796
tert-butyl formate;2-(1H-indol-5-yl)acetonitrile
CID 174767492
tert-butyl formate;6-fluoro-5-methyl-1H-indole
CID 174455611
N-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide
CID 132598118
4-(1H-indol-5-yloxy)benzoic acid
CID 129206286
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701
tert-butyl formate;6-piperazin-1-yl-1H-indole
CID 175263131
tert-butyl formate;1-(1H-indol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
CID 174664190
N-(1-amino-2-methylpropan-2-yl)-1H-indole-5-carboxamide
CID 55231181
[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone
CID 59744791

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;1-(1H-indol-5-yl)ethanone?
The IUPAC name of tert-butyl formate;1-(1H-indol-5-yl)ethanone (CID 174513916) is tert-butyl formate;1-(1H-indol-5-yl)ethanone.
What is the SMILES notation for tert-butyl formate;1-(1H-indol-5-yl)ethanone?
The canonical SMILES for tert-butyl formate;1-(1H-indol-5-yl)ethanone is CC(=O)c1ccc2[nH]ccc2c1.CC(C)(C)OC=O.
What is the InChIKey of tert-butyl formate;1-(1H-indol-5-yl)ethanone?
The InChIKey is NLTWWOJVRKWCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C5H10O2/c1-7(12)8-2-3-10-9(6-8)4-5-11-10;1-5(2,3)7-4-6/h2-6,11H,1H3;4H,1-3H3.
What are the key properties of tert-butyl formate;1-(1H-indol-5-yl)ethanone?
tert-butyl formate;1-(1H-indol-5-yl)ethanone has a molecular weight of 261.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1-(1H-indol-5-yl)ethanone is sourced from PubChem (CID 174513916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).