carbanide;cyclopenta-1,3-diene;hydride;titanium(3+)

C7H12Ti- — CID 173197965

IUPACcarbanide;cyclopenta-1,3-diene;hydride;titanium(3+)
SMILES[C-]1=CC=CC1.[CH3-].[CH3-].[H-].[Ti+3]
InChIInChI=1S/C5H5.2CH3.Ti.H/c1-2-4-5-3-1;;;;/h1-3H,4H2;2*1H3;;/q3*-1;+3;-1
InChIKeyAAFONPKLYHQXOR-UHFFFAOYSA-N
MW144.04 g/mol
LogP2.32
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;hydride;titanium(3+)

carbanide;cyclopenta-1,3-diene;hydride;titanium(3+) (PubChem CID 173197965) has the molecular formula C7H12Ti- and a molecular weight of 144.04 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;hydride;titanium(3+).

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;hydride;titanium(3+)
PubChem CID173197965
Molecular FormulaC7H12Ti-
Molecular Weight144.04 g/mol
Exact Mass144.04
IUPAC Namecarbanide;cyclopenta-1,3-diene;hydride;titanium(3+)
SMILES[C-]1=CC=CC1.[CH3-].[CH3-].[H-].[Ti+3]
InChIInChI=1S/C5H5.2CH3.Ti.H/c1-2-4-5-3-1;;;;/h1-3H,4H2;2*1H3;;/q3*-1;+3;-1
InChIKeyAAFONPKLYHQXOR-UHFFFAOYSA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.04
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)
CID 174257873
cyclopenta-1,3-diene;hydride;zirconium
CID 173316209
carbanide;cyclopenta-1,3-diene;platinum(4+)
CID 53443065
carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)
CID 175390139
zinc;carbanide;cyclopenta-1,3-diene
CID 23116545
carbanide;cyclopenta-1,3-diene;zinc
CID 173150447
carbanide;pentakis(cyclopenta-1,3-diene);platinum
CID 175422555
carbanide;cyclopenta-1,3-diene;iridium tetrahydride
CID 173399564
carbanide;cyclopenta-1,3-diene;osmium(2+)
CID 140608310
carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride
CID 173293314
azanide;carbanide;cyclopenta-1,3-diene;zirconium
CID 175410282
carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride
CID 174301832

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;hydride;titanium(3+)?
The IUPAC name of carbanide;cyclopenta-1,3-diene;hydride;titanium(3+) (CID 173197965) is carbanide;cyclopenta-1,3-diene;hydride;titanium(3+).
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;hydride;titanium(3+)?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;hydride;titanium(3+) is [C-]1=CC=CC1.[CH3-].[CH3-].[H-].[Ti+3].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;hydride;titanium(3+)?
The InChIKey is AAFONPKLYHQXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2CH3.Ti.H/c1-2-4-5-3-1;;;;/h1-3H,4H2;2*1H3;;/q3*-1;+3;-1.
What are the key properties of carbanide;cyclopenta-1,3-diene;hydride;titanium(3+)?
carbanide;cyclopenta-1,3-diene;hydride;titanium(3+) has a molecular weight of 144.04 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;hydride;titanium(3+) is sourced from PubChem (CID 173197965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).