carbanide;cyclopenta-1,3-diene;1-ethylpyrrolidine;titanium

C15H29NTi-6 — CID 87686382

IUPACcarbanide;cyclopenta-1,3-diene;1-ethylpyrrolidine;titanium
SMILES[C-]1=CC=CC1.[CH2-]CN1CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[Ti]
InChIInChI=1S/C6H12N.C5H5.4CH3.Ti/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;;;;;/h1-6H2;1-3H,4H2;4*1H3;/q6*-1;
InChIKeyFNFGLIUEDMUIAT-UHFFFAOYSA-N
MW271.27 g/mol
LogP4.02
Rot. Bonds1

About carbanide;cyclopenta-1,3-diene;1-ethylpyrrolidine;titanium

carbanide;cyclopenta-1,3-diene;1-ethylpyrrolidine;titanium (PubChem CID 87686382) has the molecular formula C15H29NTi-6 and a molecular weight of 271.27 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;1-ethylpyrrolidine;titanium.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;1-ethylpyrrolidine;titanium
PubChem CID87686382
Molecular FormulaC15H29NTi-6
Molecular Weight271.27 g/mol
Exact Mass271.18
IUPAC Namecarbanide;cyclopenta-1,3-diene;1-ethylpyrrolidine;titanium
SMILES[C-]1=CC=CC1.[CH2-]CN1CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[Ti]
InChIInChI=1S/C6H12N.C5H5.4CH3.Ti/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;;;;;/h1-6H2;1-3H,4H2;4*1H3;/q6*-1;
InChIKeyFNFGLIUEDMUIAT-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbanide;cyclopenta-1,3-diene;platinum(4+)
CID 53443065
zinc;carbanide;cyclopenta-1,3-diene
CID 23116545
carbanide;cyclopenta-1,3-diene;zinc
CID 173150447
carbanide;cyclopenta-1,3-diene;iridium tetrahydride
CID 173399564
carbanide;pentakis(cyclopenta-1,3-diene);platinum
CID 175422555
cyclopenta-1,3-diene;platinum;propane
CID 175387408
butane;bis(cyclopenta-1,3-diene);zirconium(2+);dichloride
CID 87126430
magnesium;cyclopenta-1,3-diene;propane
CID 140515591
butane;carbanide;cyclopenta-1,3-diene;manganese(3+)
CID 174921078
cyclopenta-1,3-diene;bis(methanediol);titanium
CID 174427753
carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)
CID 174257873
carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride
CID 174301832

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;1-ethylpyrrolidine;titanium?
The IUPAC name of carbanide;cyclopenta-1,3-diene;1-ethylpyrrolidine;titanium (CID 87686382) is carbanide;cyclopenta-1,3-diene;1-ethylpyrrolidine;titanium.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;1-ethylpyrrolidine;titanium?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;1-ethylpyrrolidine;titanium is [C-]1=CC=CC1.[CH2-]CN1CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[Ti].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;1-ethylpyrrolidine;titanium?
The InChIKey is FNFGLIUEDMUIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N.C5H5.4CH3.Ti/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;;;;;/h1-6H2;1-3H,4H2;4*1H3;/q6*-1;.
What are the key properties of carbanide;cyclopenta-1,3-diene;1-ethylpyrrolidine;titanium?
carbanide;cyclopenta-1,3-diene;1-ethylpyrrolidine;titanium has a molecular weight of 271.27 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;1-ethylpyrrolidine;titanium is sourced from PubChem (CID 87686382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).