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

C13H14N2O2 — CID 107363338

IUPACcyclopropylmethyl 5-amino-1H-indole-2-carboxylate
SMILESNc1ccc2[nH]c(C(=O)OCC3CC3)cc2c1
InChIInChI=1S/C13H14N2O2/c14-10-3-4-11-9(5-10)6-12(15-11)13(16)17-7-8-1-2-8/h3-6,8,15H,1-2,7,14H2
InChIKeyPOVCSQMPSHPYSC-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.32
Rot. Bonds3

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

cyclopropylmethyl 5-amino-1H-indole-2-carboxylate (PubChem CID 107363338) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is cyclopropylmethyl 5-amino-1H-indole-2-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 5-amino-1H-indole-2-carboxylate
PubChem CID107363338
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namecyclopropylmethyl 5-amino-1H-indole-2-carboxylate
SMILESNc1ccc2[nH]c(C(=O)OCC3CC3)cc2c1
InChIInChI=1S/C13H14N2O2/c14-10-3-4-11-9(5-10)6-12(15-11)13(16)17-7-8-1-2-8/h3-6,8,15H,1-2,7,14H2
InChIKeyPOVCSQMPSHPYSC-UHFFFAOYSA-N
XLogP2.32
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.32
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 cyclopropylmethyl 5-amino-1H-indole-2-carboxylate?
The IUPAC name of cyclopropylmethyl 5-amino-1H-indole-2-carboxylate (CID 107363338) is cyclopropylmethyl 5-amino-1H-indole-2-carboxylate.
What is the SMILES notation for cyclopropylmethyl 5-amino-1H-indole-2-carboxylate?
The canonical SMILES for cyclopropylmethyl 5-amino-1H-indole-2-carboxylate is Nc1ccc2[nH]c(C(=O)OCC3CC3)cc2c1.
What is the InChIKey of cyclopropylmethyl 5-amino-1H-indole-2-carboxylate?
The InChIKey is POVCSQMPSHPYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-10-3-4-11-9(5-10)6-12(15-11)13(16)17-7-8-1-2-8/h3-6,8,15H,1-2,7,14H2.
What are the key properties of cyclopropylmethyl 5-amino-1H-indole-2-carboxylate?
cyclopropylmethyl 5-amino-1H-indole-2-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 5-amino-1H-indole-2-carboxylate is sourced from PubChem (CID 107363338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).