5-amino-1-(cyclobutylmethyl)-3H-indol-2-one

C13H16N2O — CID 65457808

IUPAC5-amino-1-(cyclobutylmethyl)-3H-indol-2-one
SMILESNc1ccc2c(c1)CC(=O)N2CC1CCC1
InChIInChI=1S/C13H16N2O/c14-11-4-5-12-10(6-11)7-13(16)15(12)8-9-2-1-3-9/h4-6,9H,1-3,7-8,14H2
InChIKeyADQOWNWZAJMJDQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.96
Rot. Bonds2

About 5-amino-1-(cyclobutylmethyl)-3H-indol-2-one

5-amino-1-(cyclobutylmethyl)-3H-indol-2-one (PubChem CID 65457808) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-amino-1-(cyclobutylmethyl)-3H-indol-2-one.

Molecular Properties

Compound Name5-amino-1-(cyclobutylmethyl)-3H-indol-2-one
PubChem CID65457808
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-amino-1-(cyclobutylmethyl)-3H-indol-2-one
SMILESNc1ccc2c(c1)CC(=O)N2CC1CCC1
InChIInChI=1S/C13H16N2O/c14-11-4-5-12-10(6-11)7-13(16)15(12)8-9-2-1-3-9/h4-6,9H,1-3,7-8,14H2
InChIKeyADQOWNWZAJMJDQ-UHFFFAOYSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(cyclobutylmethyl)-3H-indol-2-one?
The IUPAC name of 5-amino-1-(cyclobutylmethyl)-3H-indol-2-one (CID 65457808) is 5-amino-1-(cyclobutylmethyl)-3H-indol-2-one.
What is the SMILES notation for 5-amino-1-(cyclobutylmethyl)-3H-indol-2-one?
The canonical SMILES for 5-amino-1-(cyclobutylmethyl)-3H-indol-2-one is Nc1ccc2c(c1)CC(=O)N2CC1CCC1.
What is the InChIKey of 5-amino-1-(cyclobutylmethyl)-3H-indol-2-one?
The InChIKey is ADQOWNWZAJMJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-11-4-5-12-10(6-11)7-13(16)15(12)8-9-2-1-3-9/h4-6,9H,1-3,7-8,14H2.
What are the key properties of 5-amino-1-(cyclobutylmethyl)-3H-indol-2-one?
5-amino-1-(cyclobutylmethyl)-3H-indol-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(cyclobutylmethyl)-3H-indol-2-one is sourced from PubChem (CID 65457808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).