1-(3-methylpentyl)-7,7a-dihydroindole-2,3-dione

C14H19NO2 — CID 69166192

IUPAC1-(3-methylpentyl)-7,7a-dihydroindole-2,3-dione
SMILESCCC(C)CCN1C(=O)C(=O)C2=CC=CCC21
InChIInChI=1S/C14H19NO2/c1-3-10(2)8-9-15-12-7-5-4-6-11(12)13(16)14(15)17/h4-6,10,12H,3,7-9H2,1-2H3
InChIKeyCZHGZARVCXFSAI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.09
Rot. Bonds4

About 1-(3-methylpentyl)-7,7a-dihydroindole-2,3-dione

1-(3-methylpentyl)-7,7a-dihydroindole-2,3-dione (PubChem CID 69166192) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3-methylpentyl)-7,7a-dihydroindole-2,3-dione.

Molecular Properties

Compound Name1-(3-methylpentyl)-7,7a-dihydroindole-2,3-dione
PubChem CID69166192
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(3-methylpentyl)-7,7a-dihydroindole-2,3-dione
SMILESCCC(C)CCN1C(=O)C(=O)C2=CC=CCC21
InChIInChI=1S/C14H19NO2/c1-3-10(2)8-9-15-12-7-5-4-6-11(12)13(16)14(15)17/h4-6,10,12H,3,7-9H2,1-2H3
InChIKeyCZHGZARVCXFSAI-UHFFFAOYSA-N
XLogP2.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.09
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 1-(3-methylpentyl)-7,7a-dihydroindole-2,3-dione?
The IUPAC name of 1-(3-methylpentyl)-7,7a-dihydroindole-2,3-dione (CID 69166192) is 1-(3-methylpentyl)-7,7a-dihydroindole-2,3-dione.
What is the SMILES notation for 1-(3-methylpentyl)-7,7a-dihydroindole-2,3-dione?
The canonical SMILES for 1-(3-methylpentyl)-7,7a-dihydroindole-2,3-dione is CCC(C)CCN1C(=O)C(=O)C2=CC=CCC21.
What is the InChIKey of 1-(3-methylpentyl)-7,7a-dihydroindole-2,3-dione?
The InChIKey is CZHGZARVCXFSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-10(2)8-9-15-12-7-5-4-6-11(12)13(16)14(15)17/h4-6,10,12H,3,7-9H2,1-2H3.
What are the key properties of 1-(3-methylpentyl)-7,7a-dihydroindole-2,3-dione?
1-(3-methylpentyl)-7,7a-dihydroindole-2,3-dione has a molecular weight of 233.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentyl)-7,7a-dihydroindole-2,3-dione is sourced from PubChem (CID 69166192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).