4-isocyano-1-propan-2-yl-6H-indol-6-ide;yttrium

C12H11N2Y- — CID 170523122

IUPAC4-isocyano-1-propan-2-yl-6H-indol-6-ide;yttrium
SMILES[C-]#[N+]c1c[c-]cc2c1ccn2C(C)C.[Y]
InChIInChI=1S/C12H11N2.Y/c1-9(2)14-8-7-10-11(13-3)5-4-6-12(10)14;/h5-9H,1-2H3;/q-1;
InChIKeyZYRWSQYEDCIEKP-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.57
Rot. Bonds1

About 4-isocyano-1-propan-2-yl-6H-indol-6-ide;yttrium

4-isocyano-1-propan-2-yl-6H-indol-6-ide;yttrium (PubChem CID 170523122) has the molecular formula C12H11N2Y- and a molecular weight of 272.14 g/mol. Its IUPAC name is 4-isocyano-1-propan-2-yl-6H-indol-6-ide;yttrium.

Molecular Properties

Compound Name4-isocyano-1-propan-2-yl-6H-indol-6-ide;yttrium
PubChem CID170523122
Molecular FormulaC12H11N2Y-
Molecular Weight272.14 g/mol
Exact Mass272.00
IUPAC Name4-isocyano-1-propan-2-yl-6H-indol-6-ide;yttrium
SMILES[C-]#[N+]c1c[c-]cc2c1ccn2C(C)C.[Y]
InChIInChI=1S/C12H11N2.Y/c1-9(2)14-8-7-10-11(13-3)5-4-6-12(10)14;/h5-9H,1-2H3;/q-1;
InChIKeyZYRWSQYEDCIEKP-UHFFFAOYSA-N
XLogP3.57
TPSA9.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 21597242
2,3-Dihydroindolizine
CID 69916787
Diisopropylaminofulvene
CID 129814678
1,1-Dimethylcyclopenta[b]pyridin-1-ium chloride
CID 18916585
1,1-Dimethylcyclopenta[b]pyridin-1-ium iodide
CID 18916601
1-Methyl-5,6-dihydroindole
CID 54289923
6-Methyl-2,3-dihydroindolizine
CID 58139913
1-ethenyl-3,5-dihydro-2H-indol-5-ide;yttrium
CID 58541115
6-methyl-5-methylidene-1H-indolizine
CID 59284223
1,4-Dimethyl-3,6-dihydroindole-3,6-diide;tungsten;yttrium
CID 59708923
1,2,4-trimethyl-3-tritio-6H-indol-6-ide;yttrium
CID 59708934

Frequently Asked Questions

What is the IUPAC name of 4-isocyano-1-propan-2-yl-6H-indol-6-ide;yttrium?
The IUPAC name of 4-isocyano-1-propan-2-yl-6H-indol-6-ide;yttrium (CID 170523122) is 4-isocyano-1-propan-2-yl-6H-indol-6-ide;yttrium.
What is the SMILES notation for 4-isocyano-1-propan-2-yl-6H-indol-6-ide;yttrium?
The canonical SMILES for 4-isocyano-1-propan-2-yl-6H-indol-6-ide;yttrium is [C-]#[N+]c1c[c-]cc2c1ccn2C(C)C.[Y].
What is the InChIKey of 4-isocyano-1-propan-2-yl-6H-indol-6-ide;yttrium?
The InChIKey is ZYRWSQYEDCIEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N2.Y/c1-9(2)14-8-7-10-11(13-3)5-4-6-12(10)14;/h5-9H,1-2H3;/q-1;.
What are the key properties of 4-isocyano-1-propan-2-yl-6H-indol-6-ide;yttrium?
4-isocyano-1-propan-2-yl-6H-indol-6-ide;yttrium has a molecular weight of 272.14 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isocyano-1-propan-2-yl-6H-indol-6-ide;yttrium is sourced from PubChem (CID 170523122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).