carbanide;2-imino-4a,8a-dihydro-4H-naphthalen-4-id-1-one;oxoosmium

C11H11NO2Os-2 — CID 163585350

IUPACcarbanide;2-imino-4a,8a-dihydro-4H-naphthalen-4-id-1-one;oxoosmium
SMILESO=[Os].[CH3-].[H]/N=C1\C=[C-]C2C=CC=CC2C1=O
InChIInChI=1S/C10H8NO.CH3.O.Os/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;;;/h1-4,6-8,11H;1H3;;/q2*-1;;/b11-9+;;;
InChIKeyIKDWIKVUQCINEX-OOQPXJNPSA-N
MW379.44 g/mol
LogP1.64
Rot. Bonds

About carbanide;2-imino-4a,8a-dihydro-4H-naphthalen-4-id-1-one;oxoosmium

carbanide;2-imino-4a,8a-dihydro-4H-naphthalen-4-id-1-one;oxoosmium (PubChem CID 163585350) has the molecular formula C11H11NO2Os-2 and a molecular weight of 379.44 g/mol. Its IUPAC name is carbanide;2-imino-4a,8a-dihydro-4H-naphthalen-4-id-1-one;oxoosmium.

Molecular Properties

Compound Namecarbanide;2-imino-4a,8a-dihydro-4H-naphthalen-4-id-1-one;oxoosmium
PubChem CID163585350
Molecular FormulaC11H11NO2Os-2
Molecular Weight379.44 g/mol
Exact Mass381.04
IUPAC Namecarbanide;2-imino-4a,8a-dihydro-4H-naphthalen-4-id-1-one;oxoosmium
SMILESO=[Os].[CH3-].[H]/N=C1\C=[C-]C2C=CC=CC2C1=O
InChIInChI=1S/C10H8NO.CH3.O.Os/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;;;/h1-4,6-8,11H;1H3;;/q2*-1;;/b11-9+;;;
InChIKeyIKDWIKVUQCINEX-OOQPXJNPSA-N
XLogP1.64
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;2-imino-4a,8a-dihydro-4H-naphthalen-4-id-1-one;oxoosmium?
The IUPAC name of carbanide;2-imino-4a,8a-dihydro-4H-naphthalen-4-id-1-one;oxoosmium (CID 163585350) is carbanide;2-imino-4a,8a-dihydro-4H-naphthalen-4-id-1-one;oxoosmium.
What is the SMILES notation for carbanide;2-imino-4a,8a-dihydro-4H-naphthalen-4-id-1-one;oxoosmium?
The canonical SMILES for carbanide;2-imino-4a,8a-dihydro-4H-naphthalen-4-id-1-one;oxoosmium is O=[Os].[CH3-].[H]/N=C1\C=[C-]C2C=CC=CC2C1=O.
What is the InChIKey of carbanide;2-imino-4a,8a-dihydro-4H-naphthalen-4-id-1-one;oxoosmium?
The InChIKey is IKDWIKVUQCINEX-OOQPXJNPSA-N. The full InChI is InChI=1S/C10H8NO.CH3.O.Os/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;;;/h1-4,6-8,11H;1H3;;/q2*-1;;/b11-9+;;;.
What are the key properties of carbanide;2-imino-4a,8a-dihydro-4H-naphthalen-4-id-1-one;oxoosmium?
carbanide;2-imino-4a,8a-dihydro-4H-naphthalen-4-id-1-one;oxoosmium has a molecular weight of 379.44 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-imino-4a,8a-dihydro-4H-naphthalen-4-id-1-one;oxoosmium is sourced from PubChem (CID 163585350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).