1-butylinden-1-ide;carbanide;hafnium

C15H21Hf-3 — CID 175086172

IUPAC1-butylinden-1-ide;carbanide;hafnium
SMILESCCCC[c-]1ccc2ccccc21.[CH3-].[CH3-].[Hf]
InChIInChI=1S/C13H15.2CH3.Hf/c1-2-3-6-11-9-10-12-7-4-5-8-13(11)12;;;/h4-5,7-10H,2-3,6H2,1H3;2*1H3;/q3*-1;
InChIKeyZPDMVZPQGRPGCG-UHFFFAOYSA-N
MW379.82 g/mol
LogP4.80
Rot. Bonds3

About 1-butylinden-1-ide;carbanide;hafnium

1-butylinden-1-ide;carbanide;hafnium (PubChem CID 175086172) has the molecular formula C15H21Hf-3 and a molecular weight of 379.82 g/mol. Its IUPAC name is 1-butylinden-1-ide;carbanide;hafnium.

Molecular Properties

Compound Name1-butylinden-1-ide;carbanide;hafnium
PubChem CID175086172
Molecular FormulaC15H21Hf-3
Molecular Weight379.82 g/mol
Exact Mass381.11
IUPAC Name1-butylinden-1-ide;carbanide;hafnium
SMILESCCCC[c-]1ccc2ccccc21.[CH3-].[CH3-].[Hf]
InChIInChI=1S/C13H15.2CH3.Hf/c1-2-3-6-11-9-10-12-7-4-5-8-13(11)12;;;/h4-5,7-10H,2-3,6H2,1H3;2*1H3;/q3*-1;
InChIKeyZPDMVZPQGRPGCG-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-butylinden-1-ide;carbanide;hafnium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propylinden-1-ide
CID 135030487
1-ethylinden-1-ide;hafnium;dihydrochloride
CID 174700662
1-ethylinden-1-ide;titanium;dihydrobromide
CID 174711611
5-butylcyclopenta-1,3-diene;hafnium;1H-inden-1-ide
CID 154419995
sodium 1-methylinden-1-ide
CID 175318654
hafnium;5-propyl-2,3-dihydro-1H-s-indacen-5-ide
CID 175279371
magnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene)
CID 169222856
methoxymethane;naphthalene;pentane
CID 91431163
1-(1H-inden-1-id-2-ylmethyl)inden-1-ide;zirconium(4+);dichloride
CID 87862083
heptane;phenanthrene
CID 157482146
cyclopentane;1,5-dibutylcyclopenta-1,3-diene;iron
CID 173322079
butane;ethane;naphthalene
CID 91347234

Frequently Asked Questions

What is the IUPAC name of 1-butylinden-1-ide;carbanide;hafnium?
The IUPAC name of 1-butylinden-1-ide;carbanide;hafnium (CID 175086172) is 1-butylinden-1-ide;carbanide;hafnium.
What is the SMILES notation for 1-butylinden-1-ide;carbanide;hafnium?
The canonical SMILES for 1-butylinden-1-ide;carbanide;hafnium is CCCC[c-]1ccc2ccccc21.[CH3-].[CH3-].[Hf].
What is the InChIKey of 1-butylinden-1-ide;carbanide;hafnium?
The InChIKey is ZPDMVZPQGRPGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15.2CH3.Hf/c1-2-3-6-11-9-10-12-7-4-5-8-13(11)12;;;/h4-5,7-10H,2-3,6H2,1H3;2*1H3;/q3*-1;.
What are the key properties of 1-butylinden-1-ide;carbanide;hafnium?
1-butylinden-1-ide;carbanide;hafnium has a molecular weight of 379.82 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylinden-1-ide;carbanide;hafnium is sourced from PubChem (CID 175086172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).