1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione

C15H18N2O2 — CID 103071681

IUPAC1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione
SMILESC=C(CNCC)CN1C(=O)C(=O)c2cc(C)ccc21
InChIInChI=1S/C15H18N2O2/c1-4-16-8-11(3)9-17-13-6-5-10(2)7-12(13)14(18)15(17)19/h5-7,16H,3-4,8-9H2,1-2H3
InChIKeyXKOWPQVTHDEIEP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.69
Rot. Bonds5

About 1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione

1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione (PubChem CID 103071681) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione.

Molecular Properties

Compound Name1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione
PubChem CID103071681
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione
SMILESC=C(CNCC)CN1C(=O)C(=O)c2cc(C)ccc21
InChIInChI=1S/C15H18N2O2/c1-4-16-8-11(3)9-17-13-6-5-10(2)7-12(13)14(18)15(17)19/h5-7,16H,3-4,8-9H2,1-2H3
InChIKeyXKOWPQVTHDEIEP-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione?
The IUPAC name of 1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione (CID 103071681) is 1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione.
What is the SMILES notation for 1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione?
The canonical SMILES for 1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione is C=C(CNCC)CN1C(=O)C(=O)c2cc(C)ccc21.
What is the InChIKey of 1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione?
The InChIKey is XKOWPQVTHDEIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-16-8-11(3)9-17-13-6-5-10(2)7-12(13)14(18)15(17)19/h5-7,16H,3-4,8-9H2,1-2H3.
What are the key properties of 1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione?
1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione has a molecular weight of 258.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione is sourced from PubChem (CID 103071681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).