1-(1H-indol-6-yl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione

C15H15N3O2 — CID 19058066

IUPAC1-(1H-indol-6-yl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione
SMILESC=CCNC1CC(=O)N(c2ccc3cc[nH]c3c2)C1=O
InChIInChI=1S/C15H15N3O2/c1-2-6-16-13-9-14(19)18(15(13)20)11-4-3-10-5-7-17-12(10)8-11/h2-5,7-8,13,16-17H,1,6,9H2
InChIKeyFSEJOQGYEHVLIB-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.58
Rot. Bonds4

About 1-(1H-indol-6-yl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione

1-(1H-indol-6-yl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione (PubChem CID 19058066) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(1H-indol-6-yl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1H-indol-6-yl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione
PubChem CID19058066
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(1H-indol-6-yl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione
SMILESC=CCNC1CC(=O)N(c2ccc3cc[nH]c3c2)C1=O
InChIInChI=1S/C15H15N3O2/c1-2-6-16-13-9-14(19)18(15(13)20)11-4-3-10-5-7-17-12(10)8-11/h2-5,7-8,13,16-17H,1,6,9H2
InChIKeyFSEJOQGYEHVLIB-UHFFFAOYSA-N
XLogP1.58
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione
CID 19057923
(3R)-1-(3,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 124560441
3-[(1-benzylpiperidin-4-yl)amino]-1-(1H-indol-6-yl)pyrrolidine-2,5-dione
CID 19058082
[2-(4-fluorophenyl)-2-oxoethyl] 4-[2,5-dioxo-3-(prop-2-enylamino)pyrrolidin-1-yl]benzoate
CID 22775595
1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-2,5-dione
CID 19058537
1-(1H-indol-6-yl)-3-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 19058109
3-(furan-2-ylmethylsulfanyl)-1-(1H-indol-6-yl)pyrrolidine-2,5-dione
CID 19058535
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-[2,5-dioxo-3-(prop-2-enylamino)pyrrolidin-1-yl]benzoate
CID 22782771
[2-(2-chlorophenyl)-2-oxoethyl] 4-[2,5-dioxo-3-(prop-2-enylamino)pyrrolidin-1-yl]benzoate
CID 22778553
(3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 99129593
(3R)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 124560438
(3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 124560433

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-6-yl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(1H-indol-6-yl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione (CID 19058066) is 1-(1H-indol-6-yl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1H-indol-6-yl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1H-indol-6-yl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione is C=CCNC1CC(=O)N(c2ccc3cc[nH]c3c2)C1=O.
What is the InChIKey of 1-(1H-indol-6-yl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione?
The InChIKey is FSEJOQGYEHVLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-6-16-13-9-14(19)18(15(13)20)11-4-3-10-5-7-17-12(10)8-11/h2-5,7-8,13,16-17H,1,6,9H2.
What are the key properties of 1-(1H-indol-6-yl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione?
1-(1H-indol-6-yl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione has a molecular weight of 269.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-6-yl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 19058066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).