3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one

C16H16N2O2 — CID 43254974

IUPAC3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1cccc(CN2C(=O)C(N)c3ccccc32)c1
InChIInChI=1S/C16H16N2O2/c1-20-12-6-4-5-11(9-12)10-18-14-8-3-2-7-13(14)15(17)16(18)19/h2-9,15H,10,17H2,1H3
InChIKeyVWAIISIYZWFBJN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.24
Rot. Bonds3

About 3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one

3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one (PubChem CID 43254974) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one
PubChem CID43254974
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1cccc(CN2C(=O)C(N)c3ccccc32)c1
InChIInChI=1S/C16H16N2O2/c1-20-12-6-4-5-11(9-12)10-18-14-8-3-2-7-13(14)15(17)16(18)19/h2-9,15H,10,17H2,1H3
InChIKeyVWAIISIYZWFBJN-UHFFFAOYSA-N
XLogP2.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one
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1-benzyl-3-methoxy-3H-indol-2-one
CID 134908410
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4-(3-amino-6-methoxy-2-oxo-3H-indol-1-yl)butanenitrile
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4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione
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4-benzyl-2-(3-methoxyphenyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 7246399
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CID 71728903

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one (CID 43254974) is 3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one is COc1cccc(CN2C(=O)C(N)c3ccccc32)c1.
What is the InChIKey of 3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one?
The InChIKey is VWAIISIYZWFBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-12-6-4-5-11(9-12)10-18-14-8-3-2-7-13(14)15(17)16(18)19/h2-9,15H,10,17H2,1H3.
What are the key properties of 3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one?
3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 43254974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).