4-chloro-1-[(dimethylamino)methyl]indole-2,3-dione

C11H11ClN2O2 — CID 46225778

IUPAC4-chloro-1-[(dimethylamino)methyl]indole-2,3-dione
SMILESCN(C)CN1C(=O)C(=O)c2c(Cl)cccc21
InChIInChI=1S/C11H11ClN2O2/c1-13(2)6-14-8-5-3-4-7(12)9(8)10(15)11(14)16/h3-5H,6H2,1-2H3
InChIKeyDJVNIZRUROIYHP-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.39
Rot. Bonds2

About 4-chloro-1-[(dimethylamino)methyl]indole-2,3-dione

4-chloro-1-[(dimethylamino)methyl]indole-2,3-dione (PubChem CID 46225778) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 4-chloro-1-[(dimethylamino)methyl]indole-2,3-dione.

Molecular Properties

Compound Name4-chloro-1-[(dimethylamino)methyl]indole-2,3-dione
PubChem CID46225778
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name4-chloro-1-[(dimethylamino)methyl]indole-2,3-dione
SMILESCN(C)CN1C(=O)C(=O)c2c(Cl)cccc21
InChIInChI=1S/C11H11ClN2O2/c1-13(2)6-14-8-5-3-4-7(12)9(8)10(15)11(14)16/h3-5H,6H2,1-2H3
InChIKeyDJVNIZRUROIYHP-UHFFFAOYSA-N
XLogP1.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(dimethylamino)methyl]indole-2,3-dione?
The IUPAC name of 4-chloro-1-[(dimethylamino)methyl]indole-2,3-dione (CID 46225778) is 4-chloro-1-[(dimethylamino)methyl]indole-2,3-dione.
What is the SMILES notation for 4-chloro-1-[(dimethylamino)methyl]indole-2,3-dione?
The canonical SMILES for 4-chloro-1-[(dimethylamino)methyl]indole-2,3-dione is CN(C)CN1C(=O)C(=O)c2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-[(dimethylamino)methyl]indole-2,3-dione?
The InChIKey is DJVNIZRUROIYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-13(2)6-14-8-5-3-4-7(12)9(8)10(15)11(14)16/h3-5H,6H2,1-2H3.
What are the key properties of 4-chloro-1-[(dimethylamino)methyl]indole-2,3-dione?
4-chloro-1-[(dimethylamino)methyl]indole-2,3-dione has a molecular weight of 238.67 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(dimethylamino)methyl]indole-2,3-dione is sourced from PubChem (CID 46225778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).