cyclobutyl 5-amino-1H-indole-2-carboxylate

C13H14N2O2 — CID 107363368

IUPACcyclobutyl 5-amino-1H-indole-2-carboxylate
SMILESNc1ccc2[nH]c(C(=O)OC3CCC3)cc2c1
InChIInChI=1S/C13H14N2O2/c14-9-4-5-11-8(6-9)7-12(15-11)13(16)17-10-2-1-3-10/h4-7,10,15H,1-3,14H2
InChIKeyKIAUDQQOPAFGIB-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.46
Rot. Bonds2

About cyclobutyl 5-amino-1H-indole-2-carboxylate

cyclobutyl 5-amino-1H-indole-2-carboxylate (PubChem CID 107363368) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is cyclobutyl 5-amino-1H-indole-2-carboxylate.

Molecular Properties

Compound Namecyclobutyl 5-amino-1H-indole-2-carboxylate
PubChem CID107363368
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namecyclobutyl 5-amino-1H-indole-2-carboxylate
SMILESNc1ccc2[nH]c(C(=O)OC3CCC3)cc2c1
InChIInChI=1S/C13H14N2O2/c14-9-4-5-11-8(6-9)7-12(15-11)13(16)17-10-2-1-3-10/h4-7,10,15H,1-3,14H2
InChIKeyKIAUDQQOPAFGIB-UHFFFAOYSA-N
XLogP2.46
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl 5-amino-1H-indole-2-carboxylate?
The IUPAC name of cyclobutyl 5-amino-1H-indole-2-carboxylate (CID 107363368) is cyclobutyl 5-amino-1H-indole-2-carboxylate.
What is the SMILES notation for cyclobutyl 5-amino-1H-indole-2-carboxylate?
The canonical SMILES for cyclobutyl 5-amino-1H-indole-2-carboxylate is Nc1ccc2[nH]c(C(=O)OC3CCC3)cc2c1.
What is the InChIKey of cyclobutyl 5-amino-1H-indole-2-carboxylate?
The InChIKey is KIAUDQQOPAFGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-9-4-5-11-8(6-9)7-12(15-11)13(16)17-10-2-1-3-10/h4-7,10,15H,1-3,14H2.
What are the key properties of cyclobutyl 5-amino-1H-indole-2-carboxylate?
cyclobutyl 5-amino-1H-indole-2-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 5-amino-1H-indole-2-carboxylate is sourced from PubChem (CID 107363368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).