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

C10H19In — CID 141405730

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

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

1-(2-methylpentyl)-2,5-dihydroindigole (PubChem CID 141405730) has the molecular formula C10H19In and a molecular weight of 254.08 g/mol. Its IUPAC name is 1-(2-methylpentyl)-2,5-dihydroindigole.

Molecular Properties

Compound Name1-(2-methylpentyl)-2,5-dihydroindigole
PubChem CID141405730
Molecular FormulaC10H19In
Molecular Weight254.08 g/mol
Exact Mass254.05
IUPAC Name1-(2-methylpentyl)-2,5-dihydroindigole
SMILESCCCC(C)C[In]1CC=CC1
InChIInChI=1S/C6H13.C4H6.In/c1-4-5-6(2)3;1-3-4-2;/h6H,2,4-5H2,1,3H3;3-4H,1-2H2;/b;4-3-;
InChIKeyKMXOZFFAMMJTMI-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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Related Compounds

1-(3-Methylpentyl)-2,5-dihydroindigole
CID 141405726
(3Z)-hexa-1,3,5-triene;2-methylpentane
CID 141869325
(E)-but-2-ene;3-methylhexane
CID 142016608
Ethane;2-methylpentane;prop-1-ene
CID 142082558
(Z)-but-2-ene;ethane;2-methylpentane;propane
CID 143682439
(Z)-but-2-ene;2,5-dimethylhexane
CID 144935211
2,4-Dimethylpentane;propane;prop-1-ene
CID 157480541
2-Methylpentane;prop-1-ene
CID 158882307
2-Methylpentane;propane;prop-1-ene
CID 161639159

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentyl)-2,5-dihydroindigole?
The IUPAC name of 1-(2-methylpentyl)-2,5-dihydroindigole (CID 141405730) is 1-(2-methylpentyl)-2,5-dihydroindigole.
What is the SMILES notation for 1-(2-methylpentyl)-2,5-dihydroindigole?
The canonical SMILES for 1-(2-methylpentyl)-2,5-dihydroindigole is CCCC(C)C[In]1CC=CC1.
What is the InChIKey of 1-(2-methylpentyl)-2,5-dihydroindigole?
The InChIKey is KMXOZFFAMMJTMI-LWFKIUJUSA-N. The full InChI is InChI=1S/C6H13.C4H6.In/c1-4-5-6(2)3;1-3-4-2;/h6H,2,4-5H2,1,3H3;3-4H,1-2H2;/b;4-3-;.
What are the key properties of 1-(2-methylpentyl)-2,5-dihydroindigole?
1-(2-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-(2-methylpentyl)-2,5-dihydroindigole is sourced from PubChem (CID 141405730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).