1-[4-(aminomethyl)phenyl]-3H-indol-2-one

C15H14N2O — CID 117030089

IUPAC1-[4-(aminomethyl)phenyl]-3H-indol-2-one
SMILESNCc1ccc(N2C(=O)Cc3ccccc32)cc1
InChIInChI=1S/C15H14N2O/c16-10-11-5-7-13(8-6-11)17-14-4-2-1-3-12(14)9-15(17)18/h1-8H,9-10,16H2
InChIKeyCYGJSIFVFSKQRB-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.37
Rot. Bonds2

About 1-[4-(aminomethyl)phenyl]-3H-indol-2-one

1-[4-(aminomethyl)phenyl]-3H-indol-2-one (PubChem CID 117030089) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3H-indol-2-one
PubChem CID117030089
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-[4-(aminomethyl)phenyl]-3H-indol-2-one
SMILESNCc1ccc(N2C(=O)Cc3ccccc32)cc1
InChIInChI=1S/C15H14N2O/c16-10-11-5-7-13(8-6-11)17-14-4-2-1-3-12(14)9-15(17)18/h1-8H,9-10,16H2
InChIKeyCYGJSIFVFSKQRB-UHFFFAOYSA-N
XLogP2.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3H-indol-2-one?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3H-indol-2-one (CID 117030089) is 1-[4-(aminomethyl)phenyl]-3H-indol-2-one.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3H-indol-2-one?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3H-indol-2-one is NCc1ccc(N2C(=O)Cc3ccccc32)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3H-indol-2-one?
The InChIKey is CYGJSIFVFSKQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-10-11-5-7-13(8-6-11)17-14-4-2-1-3-12(14)9-15(17)18/h1-8H,9-10,16H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]-3H-indol-2-one?
1-[4-(aminomethyl)phenyl]-3H-indol-2-one has a molecular weight of 238.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-3H-indol-2-one is sourced from PubChem (CID 117030089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).