1-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxyindole-2,3-dione

C15H18N2O3 — CID 103072132

IUPAC1-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxyindole-2,3-dione
SMILESC=C(CNCC)CN1C(=O)C(=O)c2ccc(OC)cc21
InChIInChI=1S/C15H18N2O3/c1-4-16-8-10(2)9-17-13-7-11(20-3)5-6-12(13)14(18)15(17)19/h5-7,16H,2,4,8-9H2,1,3H3
InChIKeySHMPUJGGFAPYGD-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.39
Rot. Bonds6

About 1-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxyindole-2,3-dione

1-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxyindole-2,3-dione (PubChem CID 103072132) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxyindole-2,3-dione.

Molecular Properties

Compound Name1-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxyindole-2,3-dione
PubChem CID103072132
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxyindole-2,3-dione
SMILESC=C(CNCC)CN1C(=O)C(=O)c2ccc(OC)cc21
InChIInChI=1S/C15H18N2O3/c1-4-16-8-10(2)9-17-13-7-11(20-3)5-6-12(13)14(18)15(17)19/h5-7,16H,2,4,8-9H2,1,3H3
InChIKeySHMPUJGGFAPYGD-UHFFFAOYSA-N
XLogP1.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(chloromethyl)prop-2-enyl]-6-methoxyindole-2,3-dione
CID 103065739
6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61356415
1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione
CID 103071681
5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072193
2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61357088
1-[2-(ethylaminomethyl)prop-2-enyl]-5-nitroindole-2,3-dione
CID 103071868
2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide
CID 61355921
1-[(E)-3-chloro-2-methylprop-2-enyl]-6-methoxyindole-2,3-dione
CID 106438767
1-butyl-6-methoxyindole-2,3-dione
CID 25194457
1-(2-fluoroethyl)-6-methoxyindole-2,3-dione
CID 80695416
6-methoxy-1-(4-oxohexyl)indole-2,3-dione
CID 106801732
6-methoxy-1-(5-oxohexyl)indole-2,3-dione
CID 62023099

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxyindole-2,3-dione?
The IUPAC name of 1-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxyindole-2,3-dione (CID 103072132) is 1-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxyindole-2,3-dione.
What is the SMILES notation for 1-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxyindole-2,3-dione?
The canonical SMILES for 1-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxyindole-2,3-dione is C=C(CNCC)CN1C(=O)C(=O)c2ccc(OC)cc21.
What is the InChIKey of 1-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxyindole-2,3-dione?
The InChIKey is SHMPUJGGFAPYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-16-8-10(2)9-17-13-7-11(20-3)5-6-12(13)14(18)15(17)19/h5-7,16H,2,4,8-9H2,1,3H3.
What are the key properties of 1-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxyindole-2,3-dione?
1-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxyindole-2,3-dione has a molecular weight of 274.32 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxyindole-2,3-dione is sourced from PubChem (CID 103072132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).