butyl indol-1-yl carbonate

C13H15NO3 — CID 67701904

IUPACbutyl indol-1-yl carbonate
SMILESCCCCOC(=O)On1ccc2ccccc21
InChIInChI=1S/C13H15NO3/c1-2-3-10-16-13(15)17-14-9-8-11-6-4-5-7-12(11)14/h4-9H,2-3,10H2,1H3
InChIKeyNNOBXSBEAGNVOQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.01
Rot. Bonds4

About butyl indol-1-yl carbonate

butyl indol-1-yl carbonate (PubChem CID 67701904) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is butyl indol-1-yl carbonate.

Molecular Properties

Compound Namebutyl indol-1-yl carbonate
PubChem CID67701904
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namebutyl indol-1-yl carbonate
SMILESCCCCOC(=O)On1ccc2ccccc21
InChIInChI=1S/C13H15NO3/c1-2-3-10-16-13(15)17-14-9-8-11-6-4-5-7-12(11)14/h4-9H,2-3,10H2,1H3
InChIKeyNNOBXSBEAGNVOQ-UHFFFAOYSA-N
XLogP3.01
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diindol-1-yl carbonate
CID 154640293
indol-1-yl 2-bromo-2-methylpropanoate
CID 175398791
butyl 4-[(2-indol-1-ylacetyl)amino]benzoate
CID 4606579
ethyl 2-indol-1-yloxyacetate
CID 19786741
naphthalen-1-yl pentyl carbonate
CID 175011067
O-indol-1-ylhydroxylamine
CID 57016853
1-indol-1-yloctadecan-1-one
CID 58661273
dibutyl benzene-1,2-dicarboxylate
CID 69108201
butyl 2-(chloromethyl)benzimidazole-1-carboxylate
CID 69157266
butyl imidazo[1,2-a]pyridine-2-carboxylate
CID 112724658
1H-benzimidazol-2-yl butyl carbonate
CID 174919281
(111C)butyl benzoate
CID 11994383

Frequently Asked Questions

What is the IUPAC name of butyl indol-1-yl carbonate?
The IUPAC name of butyl indol-1-yl carbonate (CID 67701904) is butyl indol-1-yl carbonate.
What is the SMILES notation for butyl indol-1-yl carbonate?
The canonical SMILES for butyl indol-1-yl carbonate is CCCCOC(=O)On1ccc2ccccc21.
What is the InChIKey of butyl indol-1-yl carbonate?
The InChIKey is NNOBXSBEAGNVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-3-10-16-13(15)17-14-9-8-11-6-4-5-7-12(11)14/h4-9H,2-3,10H2,1H3.
What are the key properties of butyl indol-1-yl carbonate?
butyl indol-1-yl carbonate has a molecular weight of 233.27 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl indol-1-yl carbonate is sourced from PubChem (CID 67701904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).