(1-methyl-3,5-dihydro-2H-indol-5-id-2-yl)methanol;yttrium

C10H12NOY- — CID 59094555

IUPAC(1-methyl-3,5-dihydro-2H-indol-5-id-2-yl)methanol;yttrium
SMILESCN1c2cc[c-]cc2CC1CO.[Y]
InChIInChI=1S/C10H12NO.Y/c1-11-9(7-12)6-8-4-2-3-5-10(8)11;/h3-5,9,12H,6-7H2,1H3;/q-1;
InChIKeyDFSBXAMLRKHACW-UHFFFAOYSA-N
MW251.12 g/mol
LogP0.84
Rot. Bonds1

About (1-methyl-3,5-dihydro-2H-indol-5-id-2-yl)methanol;yttrium

(1-methyl-3,5-dihydro-2H-indol-5-id-2-yl)methanol;yttrium (PubChem CID 59094555) has the molecular formula C10H12NOY- and a molecular weight of 251.12 g/mol. Its IUPAC name is (1-methyl-3,5-dihydro-2H-indol-5-id-2-yl)methanol;yttrium.

Molecular Properties

Compound Name(1-methyl-3,5-dihydro-2H-indol-5-id-2-yl)methanol;yttrium
PubChem CID59094555
Molecular FormulaC10H12NOY-
Molecular Weight251.12 g/mol
Exact Mass251.00
IUPAC Name(1-methyl-3,5-dihydro-2H-indol-5-id-2-yl)methanol;yttrium
SMILESCN1c2cc[c-]cc2CC1CO.[Y]
InChIInChI=1S/C10H12NO.Y/c1-11-9(7-12)6-8-4-2-3-5-10(8)11;/h3-5,9,12H,6-7H2,1H3;/q-1;
InChIKeyDFSBXAMLRKHACW-UHFFFAOYSA-N
XLogP0.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,5-dihydro-2H-indol-5-id-2-yl)methanol;yttrium?
The IUPAC name of (1-methyl-3,5-dihydro-2H-indol-5-id-2-yl)methanol;yttrium (CID 59094555) is (1-methyl-3,5-dihydro-2H-indol-5-id-2-yl)methanol;yttrium.
What is the SMILES notation for (1-methyl-3,5-dihydro-2H-indol-5-id-2-yl)methanol;yttrium?
The canonical SMILES for (1-methyl-3,5-dihydro-2H-indol-5-id-2-yl)methanol;yttrium is CN1c2cc[c-]cc2CC1CO.[Y].
What is the InChIKey of (1-methyl-3,5-dihydro-2H-indol-5-id-2-yl)methanol;yttrium?
The InChIKey is DFSBXAMLRKHACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO.Y/c1-11-9(7-12)6-8-4-2-3-5-10(8)11;/h3-5,9,12H,6-7H2,1H3;/q-1;.
What are the key properties of (1-methyl-3,5-dihydro-2H-indol-5-id-2-yl)methanol;yttrium?
(1-methyl-3,5-dihydro-2H-indol-5-id-2-yl)methanol;yttrium has a molecular weight of 251.12 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,5-dihydro-2H-indol-5-id-2-yl)methanol;yttrium is sourced from PubChem (CID 59094555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).