6-methyl-3,4-dihydro-1H-indol-4-id-2-one;vanadium

C9H8NOV- — CID 59703576

IUPAC6-methyl-3,4-dihydro-1H-indol-4-id-2-one;vanadium
SMILESCc1c[c-]c2c(c1)NC(=O)C2.[V]
InChIInChI=1S/C9H8NO.V/c1-6-2-3-7-5-9(11)10-8(7)4-6;/h2,4H,5H2,1H3,(H,10,11);/q-1;
InChIKeyPNZSWQCYYCSSRK-UHFFFAOYSA-N
MW197.11 g/mol
LogP1.29
Rot. Bonds

About 6-methyl-3,4-dihydro-1H-indol-4-id-2-one;vanadium

6-methyl-3,4-dihydro-1H-indol-4-id-2-one;vanadium (PubChem CID 59703576) has the molecular formula C9H8NOV- and a molecular weight of 197.11 g/mol. Its IUPAC name is 6-methyl-3,4-dihydro-1H-indol-4-id-2-one;vanadium.

Molecular Properties

Compound Name6-methyl-3,4-dihydro-1H-indol-4-id-2-one;vanadium
PubChem CID59703576
Molecular FormulaC9H8NOV-
Molecular Weight197.11 g/mol
Exact Mass197.01
IUPAC Name6-methyl-3,4-dihydro-1H-indol-4-id-2-one;vanadium
SMILESCc1c[c-]c2c(c1)NC(=O)C2.[V]
InChIInChI=1S/C9H8NO.V/c1-6-2-3-7-5-9(11)10-8(7)4-6;/h2,4H,5H2,1H3,(H,10,11);/q-1;
InChIKeyPNZSWQCYYCSSRK-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 ≤ 500197.11
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4-dihydro-1H-indol-4-id-2-one;vanadium?
The IUPAC name of 6-methyl-3,4-dihydro-1H-indol-4-id-2-one;vanadium (CID 59703576) is 6-methyl-3,4-dihydro-1H-indol-4-id-2-one;vanadium.
What is the SMILES notation for 6-methyl-3,4-dihydro-1H-indol-4-id-2-one;vanadium?
The canonical SMILES for 6-methyl-3,4-dihydro-1H-indol-4-id-2-one;vanadium is Cc1c[c-]c2c(c1)NC(=O)C2.[V].
What is the InChIKey of 6-methyl-3,4-dihydro-1H-indol-4-id-2-one;vanadium?
The InChIKey is PNZSWQCYYCSSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NO.V/c1-6-2-3-7-5-9(11)10-8(7)4-6;/h2,4H,5H2,1H3,(H,10,11);/q-1;.
What are the key properties of 6-methyl-3,4-dihydro-1H-indol-4-id-2-one;vanadium?
6-methyl-3,4-dihydro-1H-indol-4-id-2-one;vanadium has a molecular weight of 197.11 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 6-methyl-3,4-dihydro-1H-indol-4-id-2-one;vanadium is sourced from PubChem (CID 59703576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).