7-chloro-1-(4-methylpentyl)indole-2,3-dione

C14H16ClNO2 — CID 83157456

IUPAC7-chloro-1-(4-methylpentyl)indole-2,3-dione
SMILESCC(C)CCCN1C(=O)C(=O)c2cccc(Cl)c21
InChIInChI=1S/C14H16ClNO2/c1-9(2)5-4-8-16-12-10(13(17)14(16)18)6-3-7-11(12)15/h3,6-7,9H,4-5,8H2,1-2H3
InChIKeyMRKVUNRVDLTGKT-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.31
Rot. Bonds4

About 7-chloro-1-(4-methylpentyl)indole-2,3-dione

7-chloro-1-(4-methylpentyl)indole-2,3-dione (PubChem CID 83157456) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 7-chloro-1-(4-methylpentyl)indole-2,3-dione.

Molecular Properties

Compound Name7-chloro-1-(4-methylpentyl)indole-2,3-dione
PubChem CID83157456
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name7-chloro-1-(4-methylpentyl)indole-2,3-dione
SMILESCC(C)CCCN1C(=O)C(=O)c2cccc(Cl)c21
InChIInChI=1S/C14H16ClNO2/c1-9(2)5-4-8-16-12-10(13(17)14(16)18)6-3-7-11(12)15/h3,6-7,9H,4-5,8H2,1-2H3
InChIKeyMRKVUNRVDLTGKT-UHFFFAOYSA-N
XLogP3.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 7-chloro-1-(4-methylpentyl)indole-2,3-dione?
The IUPAC name of 7-chloro-1-(4-methylpentyl)indole-2,3-dione (CID 83157456) is 7-chloro-1-(4-methylpentyl)indole-2,3-dione.
What is the SMILES notation for 7-chloro-1-(4-methylpentyl)indole-2,3-dione?
The canonical SMILES for 7-chloro-1-(4-methylpentyl)indole-2,3-dione is CC(C)CCCN1C(=O)C(=O)c2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-(4-methylpentyl)indole-2,3-dione?
The InChIKey is MRKVUNRVDLTGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-9(2)5-4-8-16-12-10(13(17)14(16)18)6-3-7-11(12)15/h3,6-7,9H,4-5,8H2,1-2H3.
What are the key properties of 7-chloro-1-(4-methylpentyl)indole-2,3-dione?
7-chloro-1-(4-methylpentyl)indole-2,3-dione has a molecular weight of 265.74 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4-methylpentyl)indole-2,3-dione is sourced from PubChem (CID 83157456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).