cyclopenta-1,3-diene;N-methylmethanamine;titanium(3+);dichloride

C7H12Cl2NTi — CID 173241570

IUPACcyclopenta-1,3-diene;N-methylmethanamine;titanium(3+);dichloride
SMILESCNC.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C5H5.C2H7N.2ClH.Ti/c1-2-4-5-3-1;1-3-2;;;/h1-3H,4H2;3H,1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeySGLPTNJQRUPLQO-UHFFFAOYSA-L
MW228.95 g/mol
LogP-4.85
Rot. Bonds

About cyclopenta-1,3-diene;N-methylmethanamine;titanium(3+);dichloride

cyclopenta-1,3-diene;N-methylmethanamine;titanium(3+);dichloride (PubChem CID 173241570) has the molecular formula C7H12Cl2NTi and a molecular weight of 228.95 g/mol. Its IUPAC name is cyclopenta-1,3-diene;N-methylmethanamine;titanium(3+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;N-methylmethanamine;titanium(3+);dichloride
PubChem CID173241570
Molecular FormulaC7H12Cl2NTi
Molecular Weight228.95 g/mol
Exact Mass227.98
IUPAC Namecyclopenta-1,3-diene;N-methylmethanamine;titanium(3+);dichloride
SMILESCNC.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C5H5.C2H7N.2ClH.Ti/c1-2-4-5-3-1;1-3-2;;;/h1-3H,4H2;3H,1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeySGLPTNJQRUPLQO-UHFFFAOYSA-L
XLogP-4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.95
LogP ≤ 5-4.85
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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Related Compounds

bis(cyclopenta-1,3-diene);rhodium(2+);chloride
CID 18934400
cyclopenta-1,3-diene;zirconium(4+);tetrachloride
CID 173166771
hexakis(cyclopenta-1,3-diene);tris(niobium(2+));trichloride
CID 21269223
tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride
CID 22239884
cyclopenta-1,3-diene;N-ethylethanamine;titanium(3+);dichloride
CID 173241230
cyclopenta-1,3-diene;ethane;titanium(4+);chloride
CID 87905661
cyclopenta-1,3-diene;ethane;vanadium;trichloride
CID 173025504
carbanide;cyclopenta-1,3-diene;hydride;titanium(3+)
CID 173197965
carbanide;cyclopenta-1,3-diene;titanium(4+);chloride
CID 87905674
cesium cyclopenta-1,3-diene
CID 18362255
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
strontium bis(cyclopenta-1,3-diene)
CID 14513562

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;N-methylmethanamine;titanium(3+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;N-methylmethanamine;titanium(3+);dichloride (CID 173241570) is cyclopenta-1,3-diene;N-methylmethanamine;titanium(3+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;N-methylmethanamine;titanium(3+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;N-methylmethanamine;titanium(3+);dichloride is CNC.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of cyclopenta-1,3-diene;N-methylmethanamine;titanium(3+);dichloride?
The InChIKey is SGLPTNJQRUPLQO-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H5.C2H7N.2ClH.Ti/c1-2-4-5-3-1;1-3-2;;;/h1-3H,4H2;3H,1-2H3;2*1H;/q-1;;;;+3/p-2.
What are the key properties of cyclopenta-1,3-diene;N-methylmethanamine;titanium(3+);dichloride?
cyclopenta-1,3-diene;N-methylmethanamine;titanium(3+);dichloride has a molecular weight of 228.95 g/mol, XLogP of -4.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;N-methylmethanamine;titanium(3+);dichloride is sourced from PubChem (CID 173241570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).