propylindigane

C3H9In — CID 154125964

IUPACpropylindigane
SMILESCCC[InH2]
InChIInChI=1S/C3H7.In.2H/c1-3-2;;;/h1,3H2,2H3;;;
InChIKeyWODWAVDKGYPPLI-UHFFFAOYSA-N
MW159.92 g/mol
LogP0.45
Rot. Bonds1

About propylindigane

propylindigane (PubChem CID 154125964) has the molecular formula C3H9In and a molecular weight of 159.92 g/mol. Its IUPAC name is propylindigane.

Molecular Properties

Compound Namepropylindigane
PubChem CID154125964
Molecular FormulaC3H9In
Molecular Weight159.92 g/mol
Exact Mass159.97
IUPAC Namepropylindigane
SMILESCCC[InH2]
InChIInChI=1S/C3H7.In.2H/c1-3-2;;;/h1,3H2,2H3;;;
InChIKeyWODWAVDKGYPPLI-UHFFFAOYSA-N
XLogP0.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.92
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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butane;sulfane
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CID 158764755

Frequently Asked Questions

What is the IUPAC name of propylindigane?
The IUPAC name of propylindigane (CID 154125964) is propylindigane.
What is the SMILES notation for propylindigane?
The canonical SMILES for propylindigane is CCC[InH2].
What is the InChIKey of propylindigane?
The InChIKey is WODWAVDKGYPPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7.In.2H/c1-3-2;;;/h1,3H2,2H3;;;.
What are the key properties of propylindigane?
propylindigane has a molecular weight of 159.92 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propylindigane is sourced from PubChem (CID 154125964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).