1-benzyl-3,4,5,6-tetrahydroindol-3-id-2-one;yttrium

C15H14NOY- — CID 134861512

IUPAC1-benzyl-3,4,5,6-tetrahydroindol-3-id-2-one;yttrium
SMILESO=C1[C-]=C2CCCC=C2N1Cc1ccccc1.[Y]
InChIInChI=1S/C15H14NO.Y/c17-15-10-13-8-4-5-9-14(13)16(15)11-12-6-2-1-3-7-12;/h1-3,6-7,9H,4-5,8,11H2;/q-1;
InChIKeyITQNUSZDYVWUQA-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.82
Rot. Bonds2

About 1-benzyl-3,4,5,6-tetrahydroindol-3-id-2-one;yttrium

1-benzyl-3,4,5,6-tetrahydroindol-3-id-2-one;yttrium (PubChem CID 134861512) has the molecular formula C15H14NOY- and a molecular weight of 313.19 g/mol. Its IUPAC name is 1-benzyl-3,4,5,6-tetrahydroindol-3-id-2-one;yttrium.

Molecular Properties

Compound Name1-benzyl-3,4,5,6-tetrahydroindol-3-id-2-one;yttrium
PubChem CID134861512
Molecular FormulaC15H14NOY-
Molecular Weight313.19 g/mol
Exact Mass313.01
IUPAC Name1-benzyl-3,4,5,6-tetrahydroindol-3-id-2-one;yttrium
SMILESO=C1[C-]=C2CCCC=C2N1Cc1ccccc1.[Y]
InChIInChI=1S/C15H14NO.Y/c17-15-10-13-8-4-5-9-14(13)16(15)11-12-6-2-1-3-7-12;/h1-3,6-7,9H,4-5,8,11H2;/q-1;
InChIKeyITQNUSZDYVWUQA-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.82
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

1-benzyl-5,6-dihydro-4H-indol-2-one
CID 12827997
1-benzyl-7-(2-chloropropanoyl)-4,5-dihydro-3H-azepin-2-one
CID 87839259
1-benzyl-3a,4,5,6-tetrahydro-3H-indol-2-one
CID 101011674
1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
CID 171688557
(3aR,7aR)-2-benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 701536
(3aS,7aS)-2-benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 701534
1-benzyl-3-methylidenepiperidine-2,6-dione
CID 14335282
2-benzyl-3-methylidene-4,5,6,7-tetrahydroisoindol-1-one
CID 11064491
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one
CID 67129694
1-benzyl-7-chloro-3-methyl-5,6-dihydro-4H-indol-2-one
CID 12827998
6-benzyl-1,2,3,4-tetrahydro-1,6-benzodiazocin-5-one
CID 117015886
1-benzyl-2-(cyclopentene-1-carbonyl)-5,5-dimethylpyrazolidin-3-one
CID 101428096

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,4,5,6-tetrahydroindol-3-id-2-one;yttrium?
The IUPAC name of 1-benzyl-3,4,5,6-tetrahydroindol-3-id-2-one;yttrium (CID 134861512) is 1-benzyl-3,4,5,6-tetrahydroindol-3-id-2-one;yttrium.
What is the SMILES notation for 1-benzyl-3,4,5,6-tetrahydroindol-3-id-2-one;yttrium?
The canonical SMILES for 1-benzyl-3,4,5,6-tetrahydroindol-3-id-2-one;yttrium is O=C1[C-]=C2CCCC=C2N1Cc1ccccc1.[Y].
What is the InChIKey of 1-benzyl-3,4,5,6-tetrahydroindol-3-id-2-one;yttrium?
The InChIKey is ITQNUSZDYVWUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14NO.Y/c17-15-10-13-8-4-5-9-14(13)16(15)11-12-6-2-1-3-7-12;/h1-3,6-7,9H,4-5,8,11H2;/q-1;.
What are the key properties of 1-benzyl-3,4,5,6-tetrahydroindol-3-id-2-one;yttrium?
1-benzyl-3,4,5,6-tetrahydroindol-3-id-2-one;yttrium has a molecular weight of 313.19 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,4,5,6-tetrahydroindol-3-id-2-one;yttrium is sourced from PubChem (CID 134861512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).