decane;indol-2-one

C18H27NO — CID 22361201

IUPACdecane;indol-2-one
SMILESCCCCCCCCCC.O=C1C=c2ccccc2=N1
InChIInChI=1S/C10H22.C8H5NO/c1-3-5-7-9-10-8-6-4-2;10-8-5-6-3-1-2-4-7(6)9-8/h3-10H2,1-2H3;1-5H
InChIKeyZPKJQYWHKIJYTN-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.77
Rot. Bonds7

About decane;indol-2-one

decane;indol-2-one (PubChem CID 22361201) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is decane;indol-2-one.

Molecular Properties

Compound Namedecane;indol-2-one
PubChem CID22361201
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Namedecane;indol-2-one
SMILESCCCCCCCCCC.O=C1C=c2ccccc2=N1
InChIInChI=1S/C10H22.C8H5NO/c1-3-5-7-9-10-8-6-4-2;10-8-5-6-3-1-2-4-7(6)9-8/h3-10H2,1-2H3;1-5H
InChIKeyZPKJQYWHKIJYTN-UHFFFAOYSA-N
XLogP3.77
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of decane;indol-2-one?
The IUPAC name of decane;indol-2-one (CID 22361201) is decane;indol-2-one.
What is the SMILES notation for decane;indol-2-one?
The canonical SMILES for decane;indol-2-one is CCCCCCCCCC.O=C1C=c2ccccc2=N1.
What is the InChIKey of decane;indol-2-one?
The InChIKey is ZPKJQYWHKIJYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C8H5NO/c1-3-5-7-9-10-8-6-4-2;10-8-5-6-3-1-2-4-7(6)9-8/h3-10H2,1-2H3;1-5H.
What are the key properties of decane;indol-2-one?
decane;indol-2-one has a molecular weight of 273.42 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decane;indol-2-one is sourced from PubChem (CID 22361201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).