cyclopenta-1,3-diene;hafnium;N-methanidyl-N-methylmethanamine

C8H13HfN-2 — CID 174630903

IUPACcyclopenta-1,3-diene;hafnium;N-methanidyl-N-methylmethanamine
SMILES[C-]1=CC=CC1.[CH2-]N(C)C.[Hf]
InChIInChI=1S/C5H5.C3H8N.Hf/c1-2-4-5-3-1;1-4(2)3;/h1-3H,4H2;1H2,2-3H3;/q2*-1;
InChIKeySTGYWKIVSKXEND-UHFFFAOYSA-N
MW301.69 g/mol
LogP1.64
Rot. Bonds

About cyclopenta-1,3-diene;hafnium;N-methanidyl-N-methylmethanamine

cyclopenta-1,3-diene;hafnium;N-methanidyl-N-methylmethanamine (PubChem CID 174630903) has the molecular formula C8H13HfN-2 and a molecular weight of 301.69 g/mol. Its IUPAC name is cyclopenta-1,3-diene;hafnium;N-methanidyl-N-methylmethanamine.

Molecular Properties

Compound Namecyclopenta-1,3-diene;hafnium;N-methanidyl-N-methylmethanamine
PubChem CID174630903
Molecular FormulaC8H13HfN-2
Molecular Weight301.69 g/mol
Exact Mass303.05
IUPAC Namecyclopenta-1,3-diene;hafnium;N-methanidyl-N-methylmethanamine
SMILES[C-]1=CC=CC1.[CH2-]N(C)C.[Hf]
InChIInChI=1S/C5H5.C3H8N.Hf/c1-2-4-5-3-1;1-4(2)3;/h1-3H,4H2;1H2,2-3H3;/q2*-1;
InChIKeySTGYWKIVSKXEND-UHFFFAOYSA-N
XLogP1.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 51.64
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;N-methanidyl-N-methylmethanamine;titanium;dihydrochloride
CID 87101406
carbanide;cyclopenta-1,3-diene;N,N-dimethylmethanamine;titanium
CID 174253394
bis(cyclopenta-1,3-diene);hafnium;hydrochloride
CID 87593145
cyclopenta-1,3-diene;ethane;titanium(4+);chloride
CID 87905661
cyclopenta-1,3-diene;ethane;vanadium;trichloride
CID 173025504
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
cesium cyclopenta-1,3-diene
CID 18362255
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
strontium bis(cyclopenta-1,3-diene)
CID 14513562
CID 22023550
CID 22023550

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;hafnium;N-methanidyl-N-methylmethanamine?
The IUPAC name of cyclopenta-1,3-diene;hafnium;N-methanidyl-N-methylmethanamine (CID 174630903) is cyclopenta-1,3-diene;hafnium;N-methanidyl-N-methylmethanamine.
What is the SMILES notation for cyclopenta-1,3-diene;hafnium;N-methanidyl-N-methylmethanamine?
The canonical SMILES for cyclopenta-1,3-diene;hafnium;N-methanidyl-N-methylmethanamine is [C-]1=CC=CC1.[CH2-]N(C)C.[Hf].
What is the InChIKey of cyclopenta-1,3-diene;hafnium;N-methanidyl-N-methylmethanamine?
The InChIKey is STGYWKIVSKXEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C3H8N.Hf/c1-2-4-5-3-1;1-4(2)3;/h1-3H,4H2;1H2,2-3H3;/q2*-1;.
What are the key properties of cyclopenta-1,3-diene;hafnium;N-methanidyl-N-methylmethanamine?
cyclopenta-1,3-diene;hafnium;N-methanidyl-N-methylmethanamine has a molecular weight of 301.69 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;hafnium;N-methanidyl-N-methylmethanamine is sourced from PubChem (CID 174630903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).