1-(3-methylpentyl)-2,5-dihydroindigole

C10H19In — CID 141405726

IUPAC1-(3-methylpentyl)-2,5-dihydroindigole
SMILESCCC(C)CC[In]1CC=CC1
InChIInChI=1S/C6H13.C4H6.In/c1-4-6(3)5-2;1-3-4-2;/h6H,1,4-5H2,2-3H3;3-4H,1-2H2;/b;4-3-;
InChIKeyCKTIPQCJCWTRPX-LWFKIUJUSA-N
MW254.08 g/mol
LogP3.49
Rot. Bonds4

About 1-(3-methylpentyl)-2,5-dihydroindigole

1-(3-methylpentyl)-2,5-dihydroindigole (PubChem CID 141405726) has the molecular formula C10H19In and a molecular weight of 254.08 g/mol. Its IUPAC name is 1-(3-methylpentyl)-2,5-dihydroindigole.

Molecular Properties

Compound Name1-(3-methylpentyl)-2,5-dihydroindigole
PubChem CID141405726
Molecular FormulaC10H19In
Molecular Weight254.08 g/mol
Exact Mass254.05
IUPAC Name1-(3-methylpentyl)-2,5-dihydroindigole
SMILESCCC(C)CC[In]1CC=CC1
InChIInChI=1S/C6H13.C4H6.In/c1-4-6(3)5-2;1-3-4-2;/h6H,1,4-5H2,2-3H3;3-4H,1-2H2;/b;4-3-;
InChIKeyCKTIPQCJCWTRPX-LWFKIUJUSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentyl)-2,5-dihydroindigole?
The IUPAC name of 1-(3-methylpentyl)-2,5-dihydroindigole (CID 141405726) is 1-(3-methylpentyl)-2,5-dihydroindigole.
What is the SMILES notation for 1-(3-methylpentyl)-2,5-dihydroindigole?
The canonical SMILES for 1-(3-methylpentyl)-2,5-dihydroindigole is CCC(C)CC[In]1CC=CC1.
What is the InChIKey of 1-(3-methylpentyl)-2,5-dihydroindigole?
The InChIKey is CKTIPQCJCWTRPX-LWFKIUJUSA-N. The full InChI is InChI=1S/C6H13.C4H6.In/c1-4-6(3)5-2;1-3-4-2;/h6H,1,4-5H2,2-3H3;3-4H,1-2H2;/b;4-3-;.
What are the key properties of 1-(3-methylpentyl)-2,5-dihydroindigole?
1-(3-methylpentyl)-2,5-dihydroindigole has a molecular weight of 254.08 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentyl)-2,5-dihydroindigole is sourced from PubChem (CID 141405726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).