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

C12H9Cl2NO2 — CID 106988637

IUPAC4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC2CC2)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C12H9Cl2NO2/c13-7-3-4-8(14)10-9(7)11(16)12(17)15(10)5-6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyRGBFQWWXDRLGBG-UHFFFAOYSA-N
MW270.11 g/mol
LogP2.93
Rot. Bonds2

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

4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione (PubChem CID 106988637) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.11 g/mol. Its IUPAC name is 4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione
PubChem CID106988637
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.11 g/mol
Exact Mass269.00
IUPAC Name4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC2CC2)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C12H9Cl2NO2/c13-7-3-4-8(14)10-9(7)11(16)12(17)15(10)5-6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyRGBFQWWXDRLGBG-UHFFFAOYSA-N
XLogP2.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 52.93
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

7-chloro-1-(cyclopropylmethyl)indole-2,3-dione
CID 61355974
4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione
CID 106988691
4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 106989742
4,7-dichloro-1-(3-methylbut-2-enyl)indole-2,3-dione
CID 106988651
4,7-dichloro-1-(2-methylsulfonylethyl)indole-2,3-dione
CID 106988843
4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione
CID 61357910
4,7-dichloro-1-hexylindole-2,3-dione
CID 106988640
4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione
CID 106988649
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione
CID 79563135
2-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]prop-2-enoic acid
CID 106988578
4-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione
CID 116522252
4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175249

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione?
The IUPAC name of 4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione (CID 106988637) is 4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione.
What is the SMILES notation for 4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione?
The canonical SMILES for 4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione is O=C1C(=O)N(CC2CC2)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of 4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione?
The InChIKey is RGBFQWWXDRLGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c13-7-3-4-8(14)10-9(7)11(16)12(17)15(10)5-6-1-2-6/h3-4,6H,1-2,5H2.
What are the key properties of 4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione?
4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione has a molecular weight of 270.11 g/mol, XLogP of 2.93, 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-(cyclopropylmethyl)indole-2,3-dione is sourced from PubChem (CID 106988637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).