ethene;indigane

C6H15In — CID 173405443

IUPACethene;indigane
SMILESC=C.C=C.C=C.[InH3]
InChIInChI=1S/3C2H4.In.3H/c3*1-2;;;;/h3*1-2H2;;;;
InChIKeyNCCXWAPVFKRQLQ-UHFFFAOYSA-N
MW202.00 g/mol
LogP1.22
Rot. Bonds

About ethene;indigane

ethene;indigane (PubChem CID 173405443) has the molecular formula C6H15In and a molecular weight of 202.00 g/mol. Its IUPAC name is ethene;indigane.

Molecular Properties

Compound Nameethene;indigane
PubChem CID173405443
Molecular FormulaC6H15In
Molecular Weight202.00 g/mol
Exact Mass202.02
IUPAC Nameethene;indigane
SMILESC=C.C=C.C=C.[InH3]
InChIInChI=1S/3C2H4.In.3H/c3*1-2;;;;/h3*1-2H2;;;;
InChIKeyNCCXWAPVFKRQLQ-UHFFFAOYSA-N
XLogP1.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.00
LogP ≤ 51.22
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 ethene;indigane?
The IUPAC name of ethene;indigane (CID 173405443) is ethene;indigane.
What is the SMILES notation for ethene;indigane?
The canonical SMILES for ethene;indigane is C=C.C=C.C=C.[InH3].
What is the InChIKey of ethene;indigane?
The InChIKey is NCCXWAPVFKRQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H4.In.3H/c3*1-2;;;;/h3*1-2H2;;;;.
What are the key properties of ethene;indigane?
ethene;indigane has a molecular weight of 202.00 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;indigane is sourced from PubChem (CID 173405443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).