3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one

C14H19N3O2 — CID 103339183

IUPAC3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one
SMILESC=CCN(CCOC)c1ccc2c(c1)NC(=O)C2N
InChIInChI=1S/C14H19N3O2/c1-3-6-17(7-8-19-2)10-4-5-11-12(9-10)16-14(18)13(11)15/h3-5,9,13H,1,6-8,15H2,2H3,(H,16,18)
InChIKeyWSCQZROTHKLYNB-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.28
Rot. Bonds6

About 3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one

3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one (PubChem CID 103339183) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one
PubChem CID103339183
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one
SMILESC=CCN(CCOC)c1ccc2c(c1)NC(=O)C2N
InChIInChI=1S/C14H19N3O2/c1-3-6-17(7-8-19-2)10-4-5-11-12(9-10)16-14(18)13(11)15/h3-5,9,13H,1,6-8,15H2,2H3,(H,16,18)
InChIKeyWSCQZROTHKLYNB-UHFFFAOYSA-N
XLogP1.28
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one (CID 103339183) is 3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one is C=CCN(CCOC)c1ccc2c(c1)NC(=O)C2N.
What is the InChIKey of 3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is WSCQZROTHKLYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-6-17(7-8-19-2)10-4-5-11-12(9-10)16-14(18)13(11)15/h3-5,9,13H,1,6-8,15H2,2H3,(H,16,18).
What are the key properties of 3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one?
3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 103339183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).