acetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium

C19H18NO3Pd- — CID 146166147

IUPACacetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium
SMILESCC(=O)O.C[C-]1c2ccccc2N2C(=O)c3ccccc3[C@]12C.[Pd]
InChIInChI=1S/C17H14NO.C2H4O2.Pd/c1-11-12-7-4-6-10-15(12)18-16(19)13-8-3-5-9-14(13)17(11,18)2;1-2(3)4;/h3-10H,1-2H3;1H3,(H,3,4);/q-1;;/t17-;;/m0../s1
InChIKeyMUVMHXZDRFHPJB-RMRYJAPISA-N
MW414.78 g/mol
LogP3.61
Rot. Bonds

About acetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium

acetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium (PubChem CID 146166147) has the molecular formula C19H18NO3Pd- and a molecular weight of 414.78 g/mol. Its IUPAC name is acetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium.

Molecular Properties

Compound Nameacetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium
PubChem CID146166147
Molecular FormulaC19H18NO3Pd-
Molecular Weight414.78 g/mol
Exact Mass414.03
IUPAC Nameacetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium
SMILESCC(=O)O.C[C-]1c2ccccc2N2C(=O)c3ccccc3[C@]12C.[Pd]
InChIInChI=1S/C17H14NO.C2H4O2.Pd/c1-11-12-7-4-6-10-15(12)18-16(19)13-8-3-5-9-14(13)17(11,18)2;1-2(3)4;/h3-10H,1-2H3;1H3,(H,3,4);/q-1;;/t17-;;/m0../s1
InChIKeyMUVMHXZDRFHPJB-RMRYJAPISA-N
XLogP3.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.78
LogP ≤ 53.61
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 acetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium?
The IUPAC name of acetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium (CID 146166147) is acetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium.
What is the SMILES notation for acetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium?
The canonical SMILES for acetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium is CC(=O)O.C[C-]1c2ccccc2N2C(=O)c3ccccc3[C@]12C.[Pd].
What is the InChIKey of acetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium?
The InChIKey is MUVMHXZDRFHPJB-RMRYJAPISA-N. The full InChI is InChI=1S/C17H14NO.C2H4O2.Pd/c1-11-12-7-4-6-10-15(12)18-16(19)13-8-3-5-9-14(13)17(11,18)2;1-2(3)4;/h3-10H,1-2H3;1H3,(H,3,4);/q-1;;/t17-;;/m0../s1.
What are the key properties of acetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium?
acetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium has a molecular weight of 414.78 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium is sourced from PubChem (CID 146166147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).