carbanide;hafnium;2-methyl-2H-cyclopenta[g][1]benzofuran

C14H16HfO-2 — CID 174821135

IUPACcarbanide;hafnium;2-methyl-2H-cyclopenta[g][1]benzofuran
SMILESCC1C=c2ccc3c(c2O1)C=CC=3.[CH3-].[CH3-].[Hf]
InChIInChI=1S/C12H10O.2CH3.Hf/c1-8-7-10-6-5-9-3-2-4-11(9)12(10)13-8;;;/h2-8H,1H3;2*1H3;/q;2*-1;
InChIKeyDWYBRLGXVSBRTB-UHFFFAOYSA-N
MW378.77 g/mol
LogP1.95
Rot. Bonds

About carbanide;hafnium;2-methyl-2H-cyclopenta[g][1]benzofuran

carbanide;hafnium;2-methyl-2H-cyclopenta[g][1]benzofuran (PubChem CID 174821135) has the molecular formula C14H16HfO-2 and a molecular weight of 378.77 g/mol. Its IUPAC name is carbanide;hafnium;2-methyl-2H-cyclopenta[g][1]benzofuran.

Molecular Properties

Compound Namecarbanide;hafnium;2-methyl-2H-cyclopenta[g][1]benzofuran
PubChem CID174821135
Molecular FormulaC14H16HfO-2
Molecular Weight378.77 g/mol
Exact Mass380.07
IUPAC Namecarbanide;hafnium;2-methyl-2H-cyclopenta[g][1]benzofuran
SMILESCC1C=c2ccc3c(c2O1)C=CC=3.[CH3-].[CH3-].[Hf]
InChIInChI=1S/C12H10O.2CH3.Hf/c1-8-7-10-6-5-9-3-2-4-11(9)12(10)13-8;;;/h2-8H,1H3;2*1H3;/q;2*-1;
InChIKeyDWYBRLGXVSBRTB-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.77
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of carbanide;hafnium;2-methyl-2H-cyclopenta[g][1]benzofuran?
The IUPAC name of carbanide;hafnium;2-methyl-2H-cyclopenta[g][1]benzofuran (CID 174821135) is carbanide;hafnium;2-methyl-2H-cyclopenta[g][1]benzofuran.
What is the SMILES notation for carbanide;hafnium;2-methyl-2H-cyclopenta[g][1]benzofuran?
The canonical SMILES for carbanide;hafnium;2-methyl-2H-cyclopenta[g][1]benzofuran is CC1C=c2ccc3c(c2O1)C=CC=3.[CH3-].[CH3-].[Hf].
What is the InChIKey of carbanide;hafnium;2-methyl-2H-cyclopenta[g][1]benzofuran?
The InChIKey is DWYBRLGXVSBRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.2CH3.Hf/c1-8-7-10-6-5-9-3-2-4-11(9)12(10)13-8;;;/h2-8H,1H3;2*1H3;/q;2*-1;.
What are the key properties of carbanide;hafnium;2-methyl-2H-cyclopenta[g][1]benzofuran?
carbanide;hafnium;2-methyl-2H-cyclopenta[g][1]benzofuran has a molecular weight of 378.77 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;hafnium;2-methyl-2H-cyclopenta[g][1]benzofuran is sourced from PubChem (CID 174821135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).