5-methyl-3,4-dihydro-1H-indol-4-id-2-one;yttrium

C9H8NOY- — CID 59971443

IUPAC5-methyl-3,4-dihydro-1H-indol-4-id-2-one;yttrium
SMILESCc1[c-]c2c(cc1)NC(=O)C2.[Y]
InChIInChI=1S/C9H8NO.Y/c1-6-2-3-8-7(4-6)5-9(11)10-8;/h2-3H,5H2,1H3,(H,10,11);/q-1;
InChIKeyGTPPGSONWCDYOE-UHFFFAOYSA-N
MW235.07 g/mol
LogP1.29
Rot. Bonds

About 5-methyl-3,4-dihydro-1H-indol-4-id-2-one;yttrium

5-methyl-3,4-dihydro-1H-indol-4-id-2-one;yttrium (PubChem CID 59971443) has the molecular formula C9H8NOY- and a molecular weight of 235.07 g/mol. Its IUPAC name is 5-methyl-3,4-dihydro-1H-indol-4-id-2-one;yttrium.

Molecular Properties

Compound Name5-methyl-3,4-dihydro-1H-indol-4-id-2-one;yttrium
PubChem CID59971443
Molecular FormulaC9H8NOY-
Molecular Weight235.07 g/mol
Exact Mass234.97
IUPAC Name5-methyl-3,4-dihydro-1H-indol-4-id-2-one;yttrium
SMILESCc1[c-]c2c(cc1)NC(=O)C2.[Y]
InChIInChI=1S/C9H8NO.Y/c1-6-2-3-8-7(4-6)5-9(11)10-8;/h2-3H,5H2,1H3,(H,10,11);/q-1;
InChIKeyGTPPGSONWCDYOE-UHFFFAOYSA-N
XLogP1.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Dihydro-indolin-2-one
CID 53966564
4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one
CID 143920331
5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1,3-dihydropyrrol-2-one
CID 143920333
5-Fluoro-1,3,6,7-tetrahydroindol-2-one
CID 163518938
6-[(E)-2-fluoroprop-1-enyl]-5-[(Z)-prop-1-enyl]-3,4-dihydro-1H-pyridin-2-one
CID 168199846
5-ethenyl-6-[(E)-2-fluoroprop-1-enyl]-3,4-dihydro-1H-pyridin-2-one
CID 168199870
5-ethenyl-6-methyl-3,4-dihydro-1H-pyridin-2-one
CID 85766588
N-(4,7-Dihydro-1h-Inden-6-Yl)acetamide
CID 137347979
Azolidinocyclobutenone
CID 129732096
N-cyclohexa-1,5-dien-1-ylbutanamide
CID 18707393
3-Ethyl-4-methyl-2,7-dihydrocyclopenta[c]pyridin-1-one
CID 20720242
2-methyl-N-(2-methyl-s-indacen-1-yl)propanamide
CID 57148224

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-dihydro-1H-indol-4-id-2-one;yttrium?
The IUPAC name of 5-methyl-3,4-dihydro-1H-indol-4-id-2-one;yttrium (CID 59971443) is 5-methyl-3,4-dihydro-1H-indol-4-id-2-one;yttrium.
What is the SMILES notation for 5-methyl-3,4-dihydro-1H-indol-4-id-2-one;yttrium?
The canonical SMILES for 5-methyl-3,4-dihydro-1H-indol-4-id-2-one;yttrium is Cc1[c-]c2c(cc1)NC(=O)C2.[Y].
What is the InChIKey of 5-methyl-3,4-dihydro-1H-indol-4-id-2-one;yttrium?
The InChIKey is GTPPGSONWCDYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NO.Y/c1-6-2-3-8-7(4-6)5-9(11)10-8;/h2-3H,5H2,1H3,(H,10,11);/q-1;.
What are the key properties of 5-methyl-3,4-dihydro-1H-indol-4-id-2-one;yttrium?
5-methyl-3,4-dihydro-1H-indol-4-id-2-one;yttrium has a molecular weight of 235.07 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-dihydro-1H-indol-4-id-2-one;yttrium is sourced from PubChem (CID 59971443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).