4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione

C12H10ClNO2 — CID 61357751

IUPAC4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
SMILESC=C(C)CN1C(=O)C(=O)c2c(Cl)cccc21
InChIInChI=1S/C12H10ClNO2/c1-7(2)6-14-9-5-3-4-8(13)10(9)11(15)12(14)16/h3-5H,1,6H2,2H3
InChIKeyPDQATSAETSOLSN-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.45
Rot. Bonds2

About 4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione

4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione (PubChem CID 61357751) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione.

Molecular Properties

Compound Name4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
PubChem CID61357751
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
SMILESC=C(C)CN1C(=O)C(=O)c2c(Cl)cccc21
InChIInChI=1S/C12H10ClNO2/c1-7(2)6-14-9-5-3-4-8(13)10(9)11(15)12(14)16/h3-5H,1,6H2,2H3
InChIKeyPDQATSAETSOLSN-UHFFFAOYSA-N
XLogP2.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione?
The IUPAC name of 4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione (CID 61357751) is 4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione.
What is the SMILES notation for 4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione?
The canonical SMILES for 4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione is C=C(C)CN1C(=O)C(=O)c2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione?
The InChIKey is PDQATSAETSOLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-7(2)6-14-9-5-3-4-8(13)10(9)11(15)12(14)16/h3-5H,1,6H2,2H3.
What are the key properties of 4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione?
4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione has a molecular weight of 235.67 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione is sourced from PubChem (CID 61357751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).