5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione

C11H7Cl2NO2 — CID 103826042

IUPAC5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione
SMILESO=C1C(=O)N(C/C=C/Cl)c2ccc(Cl)cc21
InChIInChI=1S/C11H7Cl2NO2/c12-4-1-5-14-9-3-2-7(13)6-8(9)10(15)11(14)16/h1-4,6H,5H2/b4-1+
InChIKeyYQDIPKHINTXZDZ-DAFODLJHSA-N
MW256.09 g/mol
LogP2.62
Rot. Bonds2

About 5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione

5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione (PubChem CID 103826042) has the molecular formula C11H7Cl2NO2 and a molecular weight of 256.09 g/mol. Its IUPAC name is 5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione
PubChem CID103826042
Molecular FormulaC11H7Cl2NO2
Molecular Weight256.09 g/mol
Exact Mass254.99
IUPAC Name5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione
SMILESO=C1C(=O)N(C/C=C/Cl)c2ccc(Cl)cc21
InChIInChI=1S/C11H7Cl2NO2/c12-4-1-5-14-9-3-2-7(13)6-8(9)10(15)11(14)16/h1-4,6H,5H2/b4-1+
InChIKeyYQDIPKHINTXZDZ-DAFODLJHSA-N
XLogP2.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.62
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

5-chloro-1-(4-chlorobut-2-enyl)indole-2,3-dione
CID 77051425
4-(5-chloro-2,3-dioxoindol-1-yl)but-2-enoic acid
CID 76940515
5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 139227622
5-chloro-1-(2-chloroethyl)indole-2,3-dione
CID 12634820
5-chloro-1-(2-fluoroethyl)indole-2,3-dione
CID 80694760
1-but-2-enyl-6-chloroindole-2,3-dione
CID 61356254
5-chloro-1-(2-ethylbutyl)indole-2,3-dione
CID 82928521
5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 103071645
5-chloro-1-(2-propan-2-ylsulfonylethyl)indole-2,3-dione
CID 106726035
5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione
CID 115886887
1-[3-(3,4-dichlorophenyl)prop-2-enyl]-5-(trifluoromethoxy)indole-2,3-dione
CID 68850884
3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide
CID 62325353

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione?
The IUPAC name of 5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione (CID 103826042) is 5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione is O=C1C(=O)N(C/C=C/Cl)c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione?
The InChIKey is YQDIPKHINTXZDZ-DAFODLJHSA-N. The full InChI is InChI=1S/C11H7Cl2NO2/c12-4-1-5-14-9-3-2-7(13)6-8(9)10(15)11(14)16/h1-4,6H,5H2/b4-1+.
What are the key properties of 5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione?
5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione has a molecular weight of 256.09 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione is sourced from PubChem (CID 103826042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).