4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione

C11H6Cl3NO2 — CID 106988691

IUPAC4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione
SMILESC=C(Cl)CN1C(=O)C(=O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C11H6Cl3NO2/c1-5(12)4-15-9-7(14)3-2-6(13)8(9)10(16)11(15)17/h2-3H,1,4H2
InChIKeyMDHYQBMZMTWFAD-UHFFFAOYSA-N
MW290.53 g/mol
LogP3.28
Rot. Bonds2

About 4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione

4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione (PubChem CID 106988691) has the molecular formula C11H6Cl3NO2 and a molecular weight of 290.53 g/mol. Its IUPAC name is 4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione.

Molecular Properties

Compound Name4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione
PubChem CID106988691
Molecular FormulaC11H6Cl3NO2
Molecular Weight290.53 g/mol
Exact Mass288.95
IUPAC Name4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione
SMILESC=C(Cl)CN1C(=O)C(=O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C11H6Cl3NO2/c1-5(12)4-15-9-7(14)3-2-6(13)8(9)10(16)11(15)17/h2-3H,1,4H2
InChIKeyMDHYQBMZMTWFAD-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.53
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]prop-2-enoic acid
CID 106988578
4,7-dichloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 106989741
4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 106989742
propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate
CID 106988552
4,7-dichloro-1-(3-methylbut-2-enyl)indole-2,3-dione
CID 106988651
(E)-4-(4,7-dichloro-2,3-dioxoindol-1-yl)but-2-enoic acid
CID 106988554
4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione
CID 106988649
2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
CID 106988780
4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione
CID 106988637
4,7-dichloro-1-(2-methylsulfonylethyl)indole-2,3-dione
CID 106988843
1-(4-bromobutyl)-4,7-dichloroindole-2,3-dione
CID 106988596
4,7-dichloro-1-hexylindole-2,3-dione
CID 106988640

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione?
The IUPAC name of 4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione (CID 106988691) is 4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione.
What is the SMILES notation for 4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione?
The canonical SMILES for 4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione is C=C(Cl)CN1C(=O)C(=O)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of 4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione?
The InChIKey is MDHYQBMZMTWFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3NO2/c1-5(12)4-15-9-7(14)3-2-6(13)8(9)10(16)11(15)17/h2-3H,1,4H2.
What are the key properties of 4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione?
4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione has a molecular weight of 290.53 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione is sourced from PubChem (CID 106988691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).